Glycoside
GD119134
Name:
2-[2-(3,4-dimethoxyphenyl)-2-hydroxyethoxy]-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxane-3,4,5-triolFormula:
C22H34O13Smiles:
COc1ccc(C(O)COC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)cc1OCAglycone:
COc1ccc(C(O)CO)cc1OCSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.73 |
| AlogP: | -2.59 | Num_rotatable_bonds: | 9 |
| MolWt: | 506.5 | Num_heavy_atoms: | 35 |
| TPSA: | 196.99 | NumAromaticRings: | 1 |
Unique Aglycone
AD47690
Formula: C10H14O4
Smiles:
COc1ccc(C(O)CO)cc1OC| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 4 |
| MolWt: | 198.22 | Num_heavy_atoms: | 14 |
| TPSA: | 58.92 | NumAromaticRings: | 1 |
