Glycoside
GD016750
Name:
methyl 3,4,5-trihydroxy-6-[2-(5-hydroxy-7,8-dimethoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]oxane-2-carboxylateFormula:
C24H26O12Smiles:
COC(=O)[C@@H]1O[C@H](Oc2ccccc2[C@@H]2CC(=O)c3c(O)cc(OC)c(OC)c3O2)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1cc(O)c2c(c1OC)OC(c1ccccc1O)CC2=OSugarmoiety:
COC(=O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 6 |
| MolWt: | 506.46 | Num_heavy_atoms: | 36 |
| TPSA: | 170.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD12023
Formula: C17H16O6
Smiles:
COc1cc(O)c2c(c1OC)OC(c1ccccc1O)CC2=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.24 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 3 |
| MolWt: | 316.31 | Num_heavy_atoms: | 23 |
| TPSA: | 85.22 | NumAromaticRings: | 2 |
