Glycoside
GD133526
Name:
Cinobufagin 3-O-Beta-D-GlucosideFormula:
C32H44O11Smiles:
CC(=O)OC1C(c2ccc(=O)oc2)C2(C)CCC3C(CCC4CC(OC5OC(CO)C(O)C(O)C5O)CCC43C)C23OC13Aglycone:
CC(=O)OC1C(c2ccc(=O)oc2)C2(C)CCC3C(CCC4CC(O)CCC43C)C23OC13Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.81 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 5 |
| MolWt: | 604.69 | Num_heavy_atoms: | 43 |
| TPSA: | 168.42 | NumAromaticRings: | 1 |
Unique Aglycone
AD54038
Formula: C26H34O6
Smiles:
CC(=O)OC1C(c2ccc(=O)oc2)C2(C)CCC3C(CCC4CC(O)CCC43C)C23OC13| HBA: | 6 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.77 |
| AlogP: | 3.8 | Num_rotatable_bonds: | 2 |
| MolWt: | 442.55 | Num_heavy_atoms: | 32 |
| TPSA: | 89.27 | NumAromaticRings: | 1 |
