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