Glycoside
GD142246
Name:
2-{[2-(3,4-dimethoxyphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-4-methoxy-6-methyloxane-3,5-diolFormula:
C21H32O12Smiles:
COc1ccc(OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(OC)C2O)cc1OCAglycone:
COc1ccc(O)cc1OCSugarmoiety:
COC1C(O)C(C)OC(OC2C(O)OC(CO)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | -1.61 | Num_rotatable_bonds: | 8 |
| MolWt: | 476.48 | Num_heavy_atoms: | 33 |
| TPSA: | 165.76 | NumAromaticRings: | 1 |
Unique Aglycone
AD12240
Formula: C8H10O3
Smiles:
COc1ccc(O)cc1OC| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 2 |
| MolWt: | 154.16 | Num_heavy_atoms: | 11 |
| TPSA: | 38.69 | NumAromaticRings: | 1 |
