TPCN04920

Name Compound 1
Molecular Formula C52H84O24
Molecular Weight 1093.22
CAS Registry Number 351405-69-1
SMILES CC1C2C3=CCC4C5(C)CC(O)C(OC6OCC(O)C(OC7OCC(O)C(O)C7O)C6O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C(=O)OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)CCC1(C)O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Araliaceae Tupidanthus calyptratus Aerial parts 0.006250% J Nat Prod 64, 750-753 (2001) 10.1021/np000375y
Properties
HBA 24 HBD 15
HeavyAtoms 76 AlogP -3.84
TPSA 394.36 RotatableBonds 11
FractionCSP3 0.94 Rings 9
AromaticRings 0 AliphaticRings 9