CAS No.102040-03-9,Tubeimoside A Suppliers

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Basic Information

Molecular Structure:
CAS No.:	102040-03-9
Name:	Tubeimoside A

Formula:	C₆₃H₉₈O₂₉
Molecular Weight:	1319.45
Synonyms:	Olean-12-en-28-oicacid, 3-[[2-O-[4-O-(4-carboxy-3-hydroxy-3-methyl-1-oxobutyl)-a-L-arabinopyranosyl]-b-D-glucopyranosyl]oxy]-2,23-dihydroxy-,28-(O-b-D-xylopyranosyl-(1?;2)-a-L-arabinopyranosyl) ester, intramol. ester, [2b,3b(S),4a]-;Lobatoside H;Tubeimoside 1;Tubeimoside I;Tuberimoside 1;
Density:	1.5 g/cm³
Melting Point:	250～252℃
PSA:	445.19000
LogP:	-2.67640

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Specification

The Tubeimoside A with the CAS number 102040-03-9 is also called Lobatoside H. Its molecular formula is C₆₃H₉₈O₂₉. The product's category is Sapogenins. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 6.38; (2)# of Rule of 5 Violations: 4; (3)ACD/LogD (pH 5.5): 6.37; (4)ACD/LogD (pH 7.4): 6.37; (5)#H bond acceptors: 29; (6)#H bond donors: 14; (7)#Freely Rotating Bonds: 22; (8)Polar Surface Area: 445.19 Å²; (9)Index of Refraction: 1.637; (10)Molar Refractivity: 313.19 cm³; (11)Molar Volume: 872.4 cm³; (12)Polarizability: 124.16×10^-24cm³; (13)Surface Tension: 82.6 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C(C5(CC4)C)(CCC7C6(CC(C8C7(COC(=O)CC(CC(=O)OC9C(C(COC9OC1C(C(C(OC1O8)CO)O)O)O)O)(C)O)C)O)C)C)(C)C)O)O)O)OC1C(C(C(CO1)O)O)O)O
(2)InChI: InChI=1/C63H98O29/c1-26-38(71)46(88-51-44(77)39(72)30(66)22-81-51)45(78)52(85-26)89-48-41(74)32(68)24-83-54(48)92-56(79)63-15-13-57(2,3)17-28(63)27-9-10-35-59(5)18-29(65)50-60(6,34(59)11-12-62(35,8)61(27,7)14-16-63)25-84-36(69)19-58(4,80)20-37(70)87-47-40(73)31(67)23-82-53(47)90-49-43(76)42(75)33(21-64)86-55(49)91-50/h9,26,28-35,38-55,64-68,71-78,80H,10-25H2,1-8H3/t26-,28-,29-,30+,31-,32-,33+,34+,35+,38-,39-,40-,41-,42+,43-,44+,45+,46+,47+,48+,49+,50-,51-,52-,53-,54-,55-,58?,59-,60-,61+,62+,63-/m0/s1
(3)InChIKey: KDLDEZGLVXPNOJ-GVCHXLJZBQ