TPCN06378

Name ?2??, 3??-dihydroxyurs-12(13), 18(19)-dien-28-oic-acid
Molecular Formula C30H46O5
Molecular Weight 486.69
CAS Registry Number 2573184-98-0
SMILES CC1=C2C3=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)O)CCC1(C)O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Rosaceae Rosa cymosa Roots 0.000153% None 10.1080/14786419.2019.1599886
Properties
HBA 5 HBD 4
HeavyAtoms 35 AlogP 5.24
TPSA 97.99 RotatableBonds 1
FractionCSP3 0.83 Rings 5
AromaticRings 0 AliphaticRings 5