TPCN03922
Name | Sapinmusaponin L;Hederagenin-3-O-(2-O-acetyl-??-D-xylopyranosyl)-(1 ?? 3)-??-L-rhamnopyranosyl-(1 ?? 2)-??-L-arabinopyranoside;Rarasaponin III |
Molecular Formula | C48H76O17 |
Molecular Weight | 925.12 |
CAS Registry Number | 1033414-95-7 |
SMILES | CC(=O)OC1COC(OC2C(O)C(C)OC(OC3C(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CCC7(C(=O)O)CCC56C)C4(C)CO)OCC(O)C3O)C2O)C(O)C1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Sapindaceae | Sapindus saponaria | Fruits | 0.000369% | Phytochemistry . 2008 May;69(7):1609-16 | 10.1016/j.phytochem.2007.10.033 |
Saxifragaceae | Astilbe chinensis | Subterraneous stems | 0.000304% | Chem Biodivers 5, 189-196 (2008). | 10.1002/cbdv.200890010 |
Sapindaceae | Sapindus saponaria | Fruits | 0.000144% | Phytochemistry . 2008 May;69(7):1609-16 | 10.1016/j.phytochem.2007.10.033 |
Properties
HBA | 17 | HBD | 8 |
HeavyAtoms | 65 | AlogP | 2.56 |
TPSA | 260.59 | RotatableBonds | 9 |
FractionCSP3 | 0.92 | Rings | 8 |
AromaticRings | 0 | AliphaticRings | 8 |