TPCN04916

Name Compound 3
Molecular Formula C87H137NO43
Molecular Weight 1885.02
CAS Registry Number 913846-43-2
SMILES C=CC(C)(O)CCC=C(C)C(=O)OC1COC(OC2C(COC(C)=O)OC(OC(=O)C34CC(O)C(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(COC8OCC(O)C(OC9OCC(O)C(O)C9O)C8O)C(OC8OC(CO)C(O)C(O)C8O)C(O)C7NC(C)=O)C(C)(C)C6CCC5(C)C3(C)CC4O)C(OC3OCC(O)C(OC4OCC(O)(CO)C4O)C3O)C2O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Entada africana Roots 0.006722% J Nat Prod 69, 1323-1329 (2006) 10.1021/np060257w
Properties
HBA 44 HBD 22
HeavyAtoms 131 AlogP -6.67
TPSA 671.28 RotatableBonds 28
FractionCSP3 0.89 Rings 13
AromaticRings 0 AliphaticRings 13