Glycoside
GD023664
Name:
3,5-dihydroxy-2-[4-hydroxy-2-(5-hydroxy-7,8-dimethoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]-6-(hydroxymethyl)oxan-4-yl 4-hydroxybenzoateFormula:
C30H30O14Smiles:
COc1cc(O)c2c(c1OC)O[C@H](c1cc(O)ccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c3ccc(O)cc3)[C@H]1O)CC2=OAglycone:
COc1cc(O)c2c(c1OC)OC(c1cc(O)ccc1O)CC2=O.O=C(O)c1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 8 |
| MolWt: | 614.56 | Num_heavy_atoms: | 44 |
| TPSA: | 210.9 | NumAromaticRings: | 3 |
Unique Aglycone
AD02360
Formula: C7H6O3
Smiles:
O=C(O)c1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 1 |
| MolWt: | 138.12 | Num_heavy_atoms: | 10 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD15896
Formula: C17H16O7
Smiles:
COc1cc(O)c2c(c1OC)OC(c1cc(O)ccc1O)CC2=O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.24 |
| AlogP: | 2.53 | Num_rotatable_bonds: | 3 |
| MolWt: | 332.31 | Num_heavy_atoms: | 24 |
| TPSA: | 105.45 | NumAromaticRings: | 2 |
