Glycoside
GD004606
Name:
6-[6-(4-O-Beta-D-Glucopyranosyloxy-3-Methoxybenzoyl)]-O-Beta-D-Glucopyran+Formula:
C29H32O17Smiles:
COc1cc(C(=O)OC[C@@H]2O[C@H](Oc3cc4ccc(=O)oc4cc3O)[C@H](O)[C@H](O)[C@H]2O)ccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COC(=O)c1ccc(O)c(OC)c1.O=c1ccc2cc(O)c(O)cc2o1Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.45 |
| AlogP: | -2.27 | Num_rotatable_bonds: | 9 |
| MolWt: | 652.56 | Num_heavy_atoms: | 46 |
| TPSA: | 264.5 | NumAromaticRings: | 3 |
Unique Aglycone
AD00095
Formula: C9H10O4
Smiles:
COC(=O)c1ccc(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 182.17 | Num_heavy_atoms: | 13 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
AD03223
Formula: C9H6O4
Smiles:
O=c1ccc2cc(O)c(O)cc2o1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 0 |
| MolWt: | 178.14 | Num_heavy_atoms: | 13 |
| TPSA: | 70.67 | NumAromaticRings: | 2 |
