TPCN05676
Name | Olean-12-en-28-oic acid, 3-[[2-O-(6-deoxy-??-L-mannopyranosyl)-??-L-arabinopyranosyl]oxy]-19-hydroxy-, ??-D-glucopyranosyl ester, (3??,19??)- (9CI, ACI) |
Molecular Formula | C47H76O17 |
Molecular Weight | 913.11 |
CAS Registry Number | 55965-03-2 |
SMILES | CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6C(O)C(C)(C)CCC6(C(=O)OC6OC(CO)C(O)C(O)C6O)CCC45C)C3(C)C)OCC(O)C2O)C(O)C(O)C1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Rubiaceae | Rosenbergiodendron formosum | Leaves | 0.029286% | Phytochemistry. 2000 May;54(1):77-84. | 10.1016/s0031-9422(00)00034-0. |
Properties
HBA | 17 | HBD | 10 |
HeavyAtoms | 64 | AlogP | 0.78 |
TPSA | 274.75 | RotatableBonds | 7 |
FractionCSP3 | 0.94 | Rings | 8 |
AromaticRings | 0 | AliphaticRings | 8 |