TPCN04664

Name 16-O-acetyl-21-O-(4-angeloyl)-a-L-rhamnopyranosyl barringtogenol C
Molecular Formula C43H68O11
Molecular Weight 761.01
CAS Registry Number 1000621-76-0
SMILES CC=C(C)C(=O)OC1C(C)OC(OC2C(O)C3(CO)C(OC(C)=O)CC4(C)C(=CCC5C6(C)CCC(O)C(C)(C)C6CCC54C)C3CC2(C)C)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Sapindaceae Xanthoceras sorbifolia Husks 0.000133% J Asian Nat Prod Res 9(3-5): 387-392. 10.1080/10286020600782017
Properties
HBA 11 HBD 5
HeavyAtoms 54 AlogP 4.99
TPSA 172.21 RotatableBonds 6
FractionCSP3 0.86 Rings 6
AromaticRings 0 AliphaticRings 6