TPCN04631

Name 28-O-b-D-glucopyranosyl 16-deoxybarringtogenol C
Molecular Formula C36H60O9
Molecular Weight 636.87
CAS Registry Number 1000621-77-1
SMILES CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(COC2OC(CO)C(O)C(O)C2O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Sapindaceae Xanthoceras sorbifolia Husks 0.000167% J Asian Nat Prod Res 9(3-5): 387-392. 10.1080/10286020600782017
Properties
HBA 9 HBD 7
HeavyAtoms 45 AlogP 2.91
TPSA 160.07 RotatableBonds 4
FractionCSP3 0.94 Rings 6
AromaticRings 0 AliphaticRings 6