Glycoside
GD139987
Name:
2-o-lactoylborapetoside bFormula:
C30H40O14Smiles:
COC(=O)C1=CC(OC(=O)C(C)O)CC2C3(C)CC(c4ccoc4)OC(=O)C3CC(OC3OC(CO)C(O)C(O)C3O)C12CAglycone:
COC(=O)C1=CC(OC(=O)C(C)O)CC2C3(C)CC(c4ccoc4)OC(=O)C3CC(O)C12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.7 |
| AlogP: | -0.1 | Num_rotatable_bonds: | 7 |
| MolWt: | 624.64 | Num_heavy_atoms: | 44 |
| TPSA: | 211.65 | NumAromaticRings: | 1 |
Unique Aglycone
AD56445
Formula: C24H30O9
Smiles:
COC(=O)C1=CC(OC(=O)C(C)O)CC2C3(C)CC(c4ccoc4)OC(=O)C3CC(O)C12C| HBA: | 9 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 4 |
| MolWt: | 462.5 | Num_heavy_atoms: | 33 |
| TPSA: | 132.5 | NumAromaticRings: | 1 |
