TPCN05087

Name Compound ??5??
Molecular Formula C52H84O23
Molecular Weight 1077.22
CAS Registry Number 1005378-93-7
SMILES CC1OC(OC2C(OC3C(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(CO)C(O)C(OC8OCC(O)C(O)C8O)C7(C)CCC56C)C4(C)CO)OC(C(=O)O)C(O)C3O)OCC(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Astragalus flavescens Roots 0.000571% J Nat Prod 71, 141-145 (2008). 10.1021/np0703500
Properties
HBA 23 HBD 14
HeavyAtoms 75 AlogP -2.25
TPSA 374.13 RotatableBonds 11
FractionCSP3 0.94 Rings 9
AromaticRings 0 AliphaticRings 9