Glycoside
GD117014
Name:
2-[(benzoyloxy)methyl]-5-(methanesulfonyloxy)-4,6-dimethoxyoxan-3-yl benzoateFormula:
C23H26O10SSmiles:
COC1OC(COC(=O)c2ccccc2)C(OC(=O)c2ccccc2)C(OC)C1OS(C)(=O)=OAglycone:
COC(=O)c1ccccc1.CS(=O)(=O)O.O=C(O)c1ccccc1Sugarmoiety:
COC1OC(O)C(O)C(OC)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.39 |
| AlogP: | 1.8 | Num_rotatable_bonds: | 9 |
| MolWt: | 494.52 | Num_heavy_atoms: | 34 |
| TPSA: | 123.66 | NumAromaticRings: | 2 |
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 |
AD00013
Formula: CH4O3S
Smiles:
CS(=O)(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 0 |
| MolWt: | 96.11 | Num_heavy_atoms: | 5 |
| TPSA: | 54.37 | NumAromaticRings: | 0 |
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 |
