TPCN04510

Name 2??,3??,23-trihydroxyurs-12,19-dien-28-oic acid 28-O-??-D-glucopyranoside
Molecular Formula C36H56O10
Molecular Weight 648.83
CAS Registry Number 178268-30-9
SMILES CC1=C(C)C2C3=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C(=O)OC2OC(CO)C(O)C(O)C2O)CC1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Rosaceae Rubus ellipticus Roots 0.000400% J Nat Prod 72(10): 1755-1760. 10.1021/np900237a
Properties
HBA 10 HBD 7
HeavyAtoms 46 AlogP 2.36
TPSA 177.14 RotatableBonds 4
FractionCSP3 0.86 Rings 6
AromaticRings 0 AliphaticRings 6