CAS No.68124-04-9,Chonglou Saponin VII Suppliers

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Basic Information

Molecular Structure:
CAS No.:	68124-04-9
Name:	Chonglou Saponin VII

Formula:	C₅₁H₈₂O₂₁
Molecular Weight:	1031.1842
Synonyms:	β-D-Glucopyranoside, (3β, 25R)-17-hydroxyspirost-5-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1-2)-O-(O-6-deoxy-α-L-mannopyranosyl-(1-4)-6-deoxy-α-L-mannopyranosyl-(1-4))-;beta-D-Glucopyranoside, (3beta,25R)-17-hydroxyspirost-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-6-deoxy-alpha-L-mannopyranosyl-(1-4))-;Chonglou Saponin VII;
Density:	1.45 g/cm³
Melting Point:	243-245 °C (decomp)
PSA:	314.83000
LogP:	-0.79160

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Specification

The Pennogenin tetraglycoside, with the CAS registry number 68124-04-9, is also known as β-D-Glucopyranoside, (3β, 25R)-17-hydroxyspirost-5-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1-2)-O-(O-6-deoxy-α-L-mannopyranosyl-(1-4)-6-deoxy-α-L-mannopyranosyl-(1-4))-. This chemical's molecular formula is C₅₁H₈₂O₂₁ and molecular weight is 1031.1842. What's more, its systematic name is (3β, 25R)-17-Hydroxyspirost-5-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-[6-deoxy-α-L-mannopyranosyl-(1->4)-6-deoxy-α-L-mannopyranosyl-(1->4)]-β-D-glucopyranoside.

Physical properties about Pennogenin tetraglycoside are: (1)ACD/LogP: 4.91; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 4.91; (4)ACD/LogD (pH 7.4): 4.91; (5)ACD/BCF (pH 5.5): 3156.77; (6)ACD/BCF (pH 7.4): 3156.75; (7)ACD/KOC (pH 5.5): 11119.23; (8)ACD/KOC (pH 7.4): 11119.17; (9)#H bond acceptors: 21; (10)#H bond donors: 11; (11)#Freely Rotating Bonds: 20; (12)Polar Surface Area: 193.83 Å²; (13)Index of Refraction: 1.629; (14)Molar Refractivity: 251.2 cm³; (15)Molar Volume: 706.5 cm³; (16)Polarizability: 99.58×10^-24 cm³; (17)Surface Tension: 75.5 dyne/cm; (18)Density: 1.45 g/cm³.

You can still convert the following datas into molecular structure:
(1) SMILES: O[C@@H]%10[C@H](O)[C@@H](O)[C@@H](O[C@H]%10O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O[C@H]1C)O[C@H]3[C@H](O)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O[C@@H]3CO)O[C@@H]5C/C4=C/C[C@@H]8[C@@H]([C @@]4(C)CC5)CC[C@@]9([C@]7(O)[C@@H](O[C@@]6(OC[C@@H](CC6)C)[C@H]7C)C[C@@H]89)C)C
(2) InChI: InChI=1/C51H82O21/c1-20-10-15-50(63-19-20)24(5)51(62)31(72-50)17-29-27-9-8-25-16-26(11-13-48(25,6)28(27)12-14-49(29,51)7)67-47-43(71-45-38(59)35(56)33(54)22(3)65-45)40(61)42(30(18-52)68-47)70-46-39(60)36(57)41(23(4)66-46)69-44-37(58)34(55)32(53)21(2)64-44/h8,20-24,26-47,52-62H,9-19H2,1-7H3/t20-,21+,22+,23+,24-,26+,27-,28+,29+,30-,31+,32+,33+,34-,35-,36+,37-,38-,39-,40+,41+,42-,43-,44+,45+,46+,47-,48+,49+,50-,51-/m1/s1
(3) InChIKey: FBFJAXUYHGSVFN-IYUYFXHABY