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| CAS No.: | 113558-15-9 |
|---|---|
| Name: | Baohuoside I |
| Molecular Structure: | |
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| Formula: | C27H30O10 |
| Molecular Weight: | 514.529 |
| Synonyms: | 4H-1-Benzopyran-4-one,3-[(6-deoxy-a-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-(9CI);Baohuoside 1;Baohuoside I;Baohuside I;Icariin II;Icariside II; |
| Density: | 1.46 g/cm3 |
| Melting Point: | 202-203 °C |
| Boiling Point: | 759.4 °C at 760 mmHg |
| Flash Point: | 253.8 °C |
| PSA: | 159.05000 |
| LogP: | 2.59480 |
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- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 1219080-61-1IMIDAZOLE-2-BORONIC ACID
- 489-32-7
icariin
- 113558-15-9
icariside II
| Conditions | Yield |
|---|---|
| With Cunninghamella blakesleana In methanol for 120h; Microbiological reaction; regioselective reaction; | 95.1% |
| With cellulase In dimethyl sulfoxide at 37℃; pH=5.7; Enzymatic reaction; | 84% |
| With β-glucanase; sodium acetate In aq. buffer at 50℃; for 5h; Enzymatic reaction; | 79% |
| Conditions | Yield |
|---|---|
| With recombinant rhamnosyl transferase from Epimedium pseudowushanense; UDP-rhamnose synthase from Epimedium pseudowushanense; nicotinamide adenine dinucleotide; NADPH In dimethyl sulfoxide at 30℃; for 12h; pH=7.4; Enzymatic reaction; regioselective reaction; | 87% |
- 113558-15-9
icariside II
| Conditions | Yield |
|---|---|
| With hydrogenchloride; sodium acetate In ethanol; water at 50℃; for 5h; pH=5; Enzymatic reaction; | 79% |
- 113558-15-9
icariside II
| Conditions | Yield |
|---|---|
| With emulsin |
A
- 118525-40-9
icaritin
B
- 113558-15-9
icariside II
C
- 56725-99-6
3-hydroxy-7-O-β-glucose-8-prenyl-4'-methoxychrysin
| Conditions | Yield |
|---|---|
| With hydrogenchloride; methanol; water at 80℃; for 8h; Product distribution / selectivity; Heating / reflux; | |
| With sodium methylate In pyridine at 80℃; for 8h; Product distribution / selectivity; Heating / reflux; | |
| With acetic acid; β-glucuronidase; naringinase; hesperidinase; β-galactosidase; cellulase; amyloglucosidase at 37℃; for 48h; pH=4.5; Product distribution / selectivity; | |
| Stage #1: epimedium koreanum Nakai, leaves; 1-butanol-ether-hexane-methanol extract of With water at 121℃; for 0.5h; Stage #2: at 30℃; for 120h; Product distribution / selectivity; |
- 518-82-1
1,6,8-trihydroxy-3-methyl-9,10-anthraquinone
- 489-32-7
icariin
A
- 23313-21-5
anthraglycoside B
B
- 113558-15-9
icariside II
| Conditions | Yield |
|---|---|
| With glycosyltransferase from Carthamus tinctorius (L.) (Honghua) recombinant; UDP; Cleland's reagent In aq. buffer at 30℃; for 12h; pH=7.4; Enzymatic reaction; regiospecific reaction; | A 26 %Chromat. B 24 %Chromat. |
- 113558-15-9
icariside II
| Conditions | Yield |
|---|---|
| With GH1 thermostable putative β-glucosidase IagBgl1 from Ignisphaera aggregans at 90℃; for 1.5h; pH=6.5; Temperature; Concentration; pH-value; Enzymatic reaction; |
- 113558-15-9
icariside II
- 118525-40-9
icaritin
| Conditions | Yield |
|---|---|
| With sulfuric acid In ethanol; water at 50℃; for 5h; | 82% |
| With sulfuric acid In ethanol; water at 50℃; for 5h; | 82% |
| With sulfuric acid In ethanol; water at 50℃; for 5h; | 82% |
- 629-03-8
1 ,6-dibromohexane
- 113558-15-9
icariside II
| Conditions | Yield |
|---|---|
| With potassium carbonate In acetone Reflux; Inert atmosphere; | 63% |
- 113558-15-9
icariside II
- 540-51-2
2-bromoethanol
- 827320-51-4
5-hydroxy-7-(2-hydroxyethoxy)-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4H-chromene-4-one
| Conditions | Yield |
|---|---|
| With potassium carbonate In acetone for 8h; Reflux; | 55% |
| With potassium carbonate In acetone Reflux; Inert atmosphere; | 30% |
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Specification
This chemical is called Baohuoside I, and its systematic name is 5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxo-4H-chromen-3-yl 6-deoxy-α-L-mannopyranoside. With the molecular formula of C27H30O10, its molecular weight is 514.52. The CAS registry number of this chemical is 113558-15-9.
Other characteristics of Baohuoside I can be summarised as followings: (1)ACD/LogP: 4.65; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 4.57; (4)ACD/LogD (pH 7.4): 3.35; (5)ACD/BCF (pH 5.5): 1681.08; (6)ACD/BCF (pH 7.4): 101.99; (7)ACD/KOC (pH 5.5): 6741.99; (8)ACD/KOC (pH 7.4): 409.04; (9)#H bond acceptors: 10; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 100.14 Å2; (13)Index of Refraction: 1.666; (14)Molar Refractivity: 130.58 cm3; (15)Molar Volume: 351.1 cm3; (16)Polarizability: 51.76×10-24cm3; (17)Surface Tension: 75.7 dyne/cm; (18)Density: 1.46 g/cm3; (19)Flash Point: 253.8 °C; (20)Enthalpy of Vaporization: 116.07 kJ/mol; (21)Boiling Point: 759.4 °C at 760 mmHg; (22)Vapour Pressure: 3.07E-24 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C2C(\O[C@@H]1O[C@H]([C@H](O)[C@@H](O)[C@H]1O)C)=C(/Oc3c(c(O)cc(O)c23)C\C=C(/C)C)c4ccc(OC)cc4
2.InChI: InChI=1/C27H30O10/c1-12(2)5-10-16-17(28)11-18(29)19-21(31)26(37-27-23(33)22(32)20(30)13(3)35-27)24(36-25(16)19)14-6-8-15(34-4)9-7-14/h5-9,11,13,20,22-23,27-30,32-33H,10H2,1-4H3/t13-,20-,22+,23+,27-/m0/s1
3.InChIKey: NGMYNFJANBHLKA-LVKFHIPRBY
4.Std. InChI: InChI=1S/C27H30O10/c1-12(2)5-10-16-17(28)11-18(29)19-21(31)26(37-27-23(33)22(32)20(30)13(3)35-27)24(36-25(16)19)14-6-8-15(34-4)9-7-14/h5-9,11,13,20,22-23,27-30,32-33H,10H2,1-4H3/t13-,20-,22+,23+,27-/m0/s1
5.Std. InChIKey: NGMYNFJANBHLKA-LVKFHIPRSA-N