Glycoside
GD146709
Name:
2-[(acetyloxy)methyl]-6-{[3-(benzoyloxy)-4-hydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-4-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl benzoateFormula:
C34H42O19Smiles:
CC(=O)OCC1OC(OC2(CO)OC(CO)C(O)C2OC(=O)c2ccccc2)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OC(=O)c1ccccc1Aglycone:
COC(C)=O.O=C(O)c1ccccc1.O=C(O)c1ccccc1Sugarmoiety:
OCC1OC(OC2C(OC3(CO)OC(CO)C(O)C3O)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.56 |
| AlogP: | -3.27 | Num_rotatable_bonds: | 13 |
| MolWt: | 754.69 | Num_heavy_atoms: | 53 |
| TPSA: | 286.89 | 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 |
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
