TPCN05428
Name | 9,19-Cycloleanost-7-en-26-al, 12-(acetyloxy)-3-[(3-O-acetyl-??-D-xylopyranosyl)oxy]-16,23:24,25-diepoxy-23-hydroxy-, cyclic 26,23-hemiacetal, (3??,12??,16??,23R,24R,25S,26S)- (ACI) |
Molecular Formula | C39H56O12 |
Molecular Weight | 716.87 |
CAS Registry Number | 1228555-27-8 |
SMILES | CC(=O)OC1C(O)COC(OC2CCC34CC35CC(OC(C)=O)C3(C)C6C(C)CC7(OC6CC3(C)C5=CCC4C2(C)C)OC(O)C2(C)OC72)C1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Ranunculaceae | Actaea asiatica | Subterraneous stems | 0.000935% | J Asian Nat Prod Res. 2009. 11, 588-596. | 10.1080/10286020902819848 |
Properties
HBA | 12 | HBD | 3 |
HeavyAtoms | 51 | AlogP | 3.52 |
TPSA | 162.74 | RotatableBonds | 4 |
FractionCSP3 | 0.90 | Rings | 9 |
AromaticRings | 0 | AliphaticRings | 9 |