TPCN04596

Name 2??,3??,19??-trihydroxyurs-12-en-23,28-dioic acid
Molecular Formula C30H46O7
Molecular Weight 518.69
CAS Registry Number 132282-70-3
SMILES CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)O)C5CCC43C)C2C1(C)O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Rosaceae Rubus ellipticus Roots 0.000200% J Nat Prod 72(10): 1755-1760. 10.1021/np900237a
Properties
HBA 7 HBD 5
HeavyAtoms 37 AlogP 4.24
TPSA 135.29 RotatableBonds 2
FractionCSP3 0.87 Rings 5
AromaticRings 0 AliphaticRings 5