TPCN04742

Name 19??-hydroxyasiatic acid;19a-hydroxyasiatic acid
Molecular Formula C30H48O6
Molecular Weight 504.71
CAS Registry Number 70868-78-9
SMILES CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1(C)O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Oleaceae Olea europaea Leaves 0.000500% Chem Pharm Bull (Tokyo). 2007 May;55(5):784-8. 10.1248/cpb.55.784.
Rosaceae Rubus ellipticus Roots 0.000067% J Nat Prod 72(10): 1755-1760. 10.1021/np900237a
Properties
HBA 6 HBD 5
HeavyAtoms 36 AlogP 4.15
TPSA 118.22 RotatableBonds 2
FractionCSP3 0.90 Rings 5
AromaticRings 0 AliphaticRings 5