TPCN06100

Name Gypsogenin 3-O-??-L-arabinopyranosyl-(1??3)-??-L-rhamnopyranosyl-(1 ?? 2)-??-L-arabinopyranoside
Molecular Formula C46H72O16
Molecular Weight 881.07
CAS Registry Number 2207553-89-5
SMILES CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)O)CCC45C)C3(C)C=O)OCC(O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Sapindaceae Sapindus saponaria Fruits 0.000900% Phytochemistry . 2018 Mar;147:1-8 10.1016/j.phytochem.2017.12.004
Properties
HBA 16 HBD 8
HeavyAtoms 62 AlogP 2.19
TPSA 251.36 RotatableBonds 8
FractionCSP3 0.91 Rings 8
AromaticRings 0 AliphaticRings 8