TPCN05482
Name | 30-Norolean-12-en-28-oic acid, 20-hydroxy-3-[(2-O-??-D-xylopyranosyl-??-D-glucopyranosyl)oxy]-, (3??,20??)- (9CI) |
Molecular Formula | C40H64O13 |
Molecular Weight | 752.94 |
CAS Registry Number | 365541-51-1 |
SMILES | CC1(O)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6OC6OCC(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1 |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Lardizabalaceae | Holboellia fargesii | Roots | 0.000550% | Chem Pharm Bull (Tokyo). 2001. 49, 999-1002 | 10.1248/cpb.49.999 |
Properties
HBA | 13 | HBD | 8 |
HeavyAtoms | 53 | AlogP | 2.25 |
TPSA | 215.83 | RotatableBonds | 6 |
FractionCSP3 | 0.93 | Rings | 7 |
AromaticRings | 0 | AliphaticRings | 7 |