TPCN04345

Name Arjunic acid
Molecular Formula C30H48O5
Molecular Weight 488.71
CAS Registry Number 31298-06-3
SMILES CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Rosaceae Crataegus azarolus Leaves 0.001300% Nat Prod Commun 11(11): 1637-1639. 10.1177/1934578X1601101103
Rosaceae Eriobotrya deflexa Leaves 0.000700% J Nat Prod 64(7): 865-869. 10.1021/np0100237
Properties
HBA 5 HBD 4
HeavyAtoms 35 AlogP 5.18
TPSA 97.99 RotatableBonds 1
FractionCSP3 0.90 Rings 5
AromaticRings 0 AliphaticRings 5