TPCN03851

Name Hederagenin-3-O-??-L-arabinopyranosyl-(1 ?? 3)-??-L-rhamnopyranosyl-(1 ?? 2)-??-L-arabinopyranoside;Sapindoside B
Molecular Formula C46H74O16
Molecular Weight 883.08
CAS Registry Number 30994-75-3
SMILES CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)O)CCC45C)C3(C)CO)OCC(O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Sapindaceae Sapindus emarginatus Peels 0.225000% Chem Pharm Bull (Tokyo) . 2001 Sep;49(9):1195-7 10.1248/cpb.49.1195
Sapindaceae Elattostachys apetala Barks 0.004639% Phytochemistry 57(3): 469-478. 10.1016/s0031-9422(01)00063-2
Ranunculaceae Thalictrum squarrosum Aerial parts 0.000463% Chem Pharm Bull (Tokyo), 2000, 48, 828-831. 10.1248/cpb.48.828
Sapindaceae Sapindus saponaria Fruits 0.000327% Phytochemistry . 2008 May;69(7):1609-16 10.1016/j.phytochem.2007.10.033
Properties
HBA 16 HBD 9
HeavyAtoms 62 AlogP 1.98
TPSA 254.52 RotatableBonds 8
FractionCSP3 0.93 Rings 8
AromaticRings 0 AliphaticRings 8