Glycoside
GD147188
Name:
CoelobillardinFormula:
C52H64O26Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CC(O)C2COC(=O)C1C(c2ccc(O)cc2)C(C(=O)OCC2C(O)CC3C(C(=O)OC)=COC(OC4OC(CO)C(O)C(O)C4O)C32)C1c1ccc(O)cc1Aglycone:
COC(=O)C1=COC(O)C2C1CC(O)C2COC(=O)C1C(c2ccc(O)cc2)C(C(=O)OCC2C(O)CC3C(C(=O)OC)=COC(O)C32)C1c1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 9 |
| HBD: | 12 | FractionCSP3: | 0.62 |
| AlogP: | -3.02 | Num_rotatable_bonds: | 16 |
| MolWt: | 1105.06 | Num_heavy_atoms: | 78 |
| TPSA: | 403.34 | NumAromaticRings: | 2 |
Unique Aglycone
AD58959
Formula: C40H44O16
Smiles:
COC(=O)C1=COC(O)C2C1CC(O)C2COC(=O)C1C(c2ccc(O)cc2)C(C(=O)OCC2C(O)CC3C(C(=O)OC)=COC(O)C32)C1c1ccc(O)cc1| HBA: | 16 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 10 |
| MolWt: | 780.78 | Num_heavy_atoms: | 56 |
| TPSA: | 245.04 | NumAromaticRings: | 2 |
