TPCN06193

Name Betulinic acid 3-O-??-D-xylopyranosyl-(1??3)-??-L-rhamnopyranosyl-(1 ?? 2)-??-L-arabinopyranoside
Molecular Formula C46H74O15
Molecular Weight 867.08
CAS Registry Number 2207553-90-8
SMILES C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC6OC(C)C(O)C(OC7OCC(O)C(O)C7O)C6O)C(C)(C)C5CCC43C)C12
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Sapindaceae Sapindus saponaria Fruits 0.000300% Phytochemistry . 2018 Mar;147:1-8 10.1016/j.phytochem.2017.12.004
Properties
HBA 15 HBD 8
HeavyAtoms 61 AlogP 2.87
TPSA 234.29 RotatableBonds 8
FractionCSP3 0.93 Rings 8
AromaticRings 0 AliphaticRings 8