Glycoside
GD115821
Name:
4,5-bis(benzoyloxy)-6-[(benzoyloxy)methyl]-2-{[3,5-bis(benzoyloxy)-2-[(benzoyloxy)methyl]-6-methoxyoxan-4-yl]oxy}oxan-3-yl benzoateFormula:
C62H52O18Smiles:
COC1OC(COC(=O)c2ccccc2)C(OC(=O)c2ccccc2)C(OC2OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2OC(=O)c2ccccc2)C1OC(=O)c1ccccc1Aglycone:
COC(=O)c1ccccc1.COC(=O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1Sugarmoiety:
COC1OC(O)OC(OC2OC(CO)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 9 |
| HBD: | 0 | FractionCSP3: | 0.21 |
| AlogP: | 8.31 | Num_rotatable_bonds: | 19 |
| MolWt: | 1085.08 | Num_heavy_atoms: | 80 |
| TPSA: | 221.02 | NumAromaticRings: | 7 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
