CAS Registry Number®
CAS Name
Asperosaponin VI
Molecular Formula
C47H76O18
Molecular Mass
929.10
Compound Properties
-
Melting Point (1)
234-235 °C
Source(s)
- (1) Hung, Tran Manh; Archives of Pharmacal Research, (2005), 28(9), 1053-1056, CAplus
Other Names and Identifiers
InChI
InChI=1S/C47H76O18/c1-42(2)13-15-47(41(59)65-40-37(58)34(55)32(53)26(63-40)20-61-38-36(57)33(54)31(52)25(18-48)62-38)16-14-45(5)22(23(47)17-42)7-8-28-43(3)11-10-29(64-39-35(56)30(51)24(50)19-60-39)44(4,21-49)27(43)9-12-46(28,45)6/h7,23-40,48-58H,8-21H2,1-6H3/t23-,24-,25+,26+,27+,28+,29-,30-,31+,32+,33-,34-,35+,36+,37+,38+,39-,40-,43-,44-,45+,46+,47-/m0/s1
InChIKey
InChIKey=CCRXMHCQWYVXTE-HMRSNRLKSA-N
SMILES
C(O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)(=O)[C@]34[C@](C=5[C@@](C)(CC3)[C@@]6(C)[C@](CC5)([C@]7(C)[C@@](CC6)([C@@](CO)(C)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O)CO8)CC7)[H])[H])(CC(C)(C)CC4)[H]
Canonical SMILES
O=C(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C34CCC(C)(C)CC4C5=CCC6C7(C)CCC(OC8OCC(O)C(O)C8O)C(C)(CO)C7CCC6(C)C5(C)CC3
Other Names for this Substance
- Olean-12-en-28-oic acid, 3-(α-L-arabinopyranosyloxy)-23-hydroxy-, 6-O-β-D-glucopyranosyl-β-D-glucopyranosyl ester, (3β,4α)-
- Akebia saponin D
- Tauroside St-G0-1
- Hederagenin 3-O-α-L-arabinopyranosyl-28-β-D-glucopyranosyl(1→6)-β-D-glucopyranoside
- Asperosaponin VI
- 3-O-α-L-Arabinopyranosylhederagenin 28-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranoside
- Leiyemudanoside A
