TPCN04662

Name 1??,2??,3??,19??-tetrahydroxyurs-12-en-28oic acid
Molecular Formula C30H48O6
Molecular Weight 504.71
CAS Registry Number 113558-02-4
SMILES CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)C(O)C(O)C(O)C(C)(C)C5CCC43C)C2C1(C)O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Rosaceae Agrimonia pilosa Aerial parts 0.000136% Nat Prod Commun 10(12): 2041-2044. 10.1177/1934578X1501001207
Properties
HBA 6 HBD 5
HeavyAtoms 36 AlogP 4.15
TPSA 118.22 RotatableBonds 1
FractionCSP3 0.90 Rings 5
AromaticRings 0 AliphaticRings 5