Glycoside
GD147139
Name:
6'-o-lactoylborapetoside bFormula:
C30H40O14Smiles:
COC(=O)C1=CC(O)CC2C3(C)CC(c4ccoc4)OC(=O)C3CC(OC3OC(COC(=O)C(C)O)C(O)C(O)C3O)C12CAglycone:
COC(=O)C(C)O.COC(=O)C1=CC(O)CC2C3(C)CC(c4ccoc4)OC(=O)C3CC(O)C12CSugarmoiety:
OC1OC(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
AD02098
Formula: C21H26O7
Smiles:
COC(=O)C1=CC(O)CC2C3(C)CC(c4ccoc4)OC(=O)C3CC(O)C12C| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | 2.14 | Num_rotatable_bonds: | 2 |
| MolWt: | 390.43 | Num_heavy_atoms: | 28 |
| TPSA: | 106.2 | NumAromaticRings: | 1 |
AD38349
Formula: C4H8O3
Smiles:
COC(=O)C(C)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | -0.46 | Num_rotatable_bonds: | 1 |
| MolWt: | 104.1 | Num_heavy_atoms: | 7 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
