Glycoside
GD140429
Name:
2-(4-methoxy-2,5-dimethylphenoxy)-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxane-3,4,5-triolFormula:
C21H32O11Smiles:
COc1cc(C)c(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)cc1CAglycone:
COc1cc(C)c(O)cc1CSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.71 |
| AlogP: | -1.66 | Num_rotatable_bonds: | 6 |
| MolWt: | 460.48 | Num_heavy_atoms: | 32 |
| TPSA: | 167.53 | NumAromaticRings: | 1 |
Unique Aglycone
AD45555
Formula: C9H12O2
Smiles:
COc1cc(C)c(O)cc1C| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 1 |
| MolWt: | 152.19 | Num_heavy_atoms: | 11 |
| TPSA: | 29.46 | NumAromaticRings: | 1 |
