Glycoside
GD028002
Name:
6-[(benzoyloxy)methyl]-4,5-dihydroxy-2-[4-hydroxy-2-(hydroxymethyl)phenoxy]oxan-3-yl benzoateFormula:
C27H26O10Smiles:
O=C(OC[C@@H]1O[C@H](Oc2ccc(O)cc2CO)[C@H](OC(=O)c2ccccc2)[C@H](O)[C@H]1O)c1ccccc1Aglycone:
COC(=O)c1ccccc1.O=C(O)c1ccccc1.OCc1cc(O)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.26 |
| AlogP: | 1.79 | Num_rotatable_bonds: | 8 |
| MolWt: | 510.5 | Num_heavy_atoms: | 37 |
| TPSA: | 151.98 | NumAromaticRings: | 3 |
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 |
AD00674
Formula: C7H8O3
Smiles:
OCc1cc(O)ccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.14 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 140.14 | Num_heavy_atoms: | 10 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
