Glycoside
GD134228
Name:
methyl 4-({3-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)benzoateFormula:
C21H30O12Smiles:
COC(=O)c1ccc(OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(OC)C2O)cc1Aglycone:
COC(=O)c1ccc(O)cc1Sugarmoiety:
COC1C(O)C(C)OC(OC2C(O)OC(CO)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -1.84 | Num_rotatable_bonds: | 7 |
| MolWt: | 474.46 | Num_heavy_atoms: | 33 |
| TPSA: | 173.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD00517
Formula: C8H8O3
Smiles:
COC(=O)c1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
