TPCN03607

Name 3-beta-O-[alpha-L-rhamnopyranosyl(1-->4)O-beta-D-glucopyranosyl]16-alpha-hydroxy- olean-12-en(13)-28-oic acid
Molecular Formula C42H68O13
Molecular Weight 780.99
CAS Registry Number 404849-80-5
SMILES CC1OC(OC2C(CO)OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)O)C(O)CC45C)C3(C)C)C(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Acanthaceae Lepidagathis incurva Leaves 0.001875% Nat Prod Lett, 2001, 15, 315-322. 10.1080/10575630108041298
Properties
HBA 13 HBD 8
HeavyAtoms 55 AlogP 2.88
TPSA 215.83 RotatableBonds 6
FractionCSP3 0.93 Rings 7
AromaticRings 0 AliphaticRings 7