TPCN06263

Name 2??,3??,19??,24-tetrahydroxyolean-12-en-28-oic-acid 28-O-??-D-glucopyranosyl ester
Molecular Formula C36H58O11
Molecular Weight 666.85
CAS Registry Number 1202183-90-1
SMILES CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Callicarpa nudiflora Leaves 0.000094% Chem Pharm Bull (Tokyo) . 2014;62(7):695-9 10.1248/cpb.c14-00159
Properties
HBA 11 HBD 8
HeavyAtoms 47 AlogP 1.41
TPSA 197.37 RotatableBonds 4
FractionCSP3 0.92 Rings 6
AromaticRings 0 AliphaticRings 6