Glycoside
GD117739
Name:
4,5-dihydroxy-2-(hydroxymethyl)-6-[2-methoxy-4-(1,2,3-trihydroxypropyl)phenoxy]oxan-3-yl 4-methoxybenzoateFormula:
C24H30O12Smiles:
COc1ccc(C(=O)OC2C(CO)OC(Oc3ccc(C(O)C(O)CO)cc3OC)C(O)C2O)cc1Aglycone:
COc1cc(C(O)C(O)CO)ccc1O.COc1ccc(C(=O)O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | -0.87 | Num_rotatable_bonds: | 10 |
| MolWt: | 510.49 | Num_heavy_atoms: | 36 |
| TPSA: | 184.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD01329
Formula: C8H8O3
Smiles:
COc1ccc(C(=O)O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD12085
Formula: C10H14O5
Smiles:
COc1cc(C(O)C(O)CO)ccc1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 4 |
| MolWt: | 214.22 | Num_heavy_atoms: | 15 |
| TPSA: | 90.15 | NumAromaticRings: | 1 |
