TPCN03592

Name 3alpha,23-dihydroxy-lup-20(29)-en-28-oic acid 28-O-alpha-L-rhamnopyranosyl-(1-->4)-beta-D-glucopyranosyl-(1-->6)-beta-D-glucopy ranosyl ester
Molecular Formula C48H78O17
Molecular Weight 927.14
CAS Registry Number 136182-02-0
SMILES C=C(C)C1CCC2(C(=O)OC3OC(COC4OC(CO)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Sapindaceae Aesculus glabra Seeds 0.002000% Phytochemistry 75, 67-77 (2012). 10.1016/j.phytochem.2011.11.012
Properties
HBA 17 HBD 10
HeavyAtoms 65 AlogP 1.02
TPSA 274.75 RotatableBonds 9
FractionCSP3 0.94 Rings 8
AromaticRings 0 AliphaticRings 8