Glycoside
GD145610
Name:
2-(4-chloro-3-hydroxy-5-methylphenoxy)-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxane-3,4,5-triolFormula:
C20H27O11ClSmiles:
Cc1cc(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)cc(O)c1ClAglycone:
Cc1cc(O)cc(O)c1ClSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.68 |
| AlogP: | -1.62 | Num_rotatable_bonds: | 5 |
| MolWt: | 466.87 | Num_heavy_atoms: | 31 |
| TPSA: | 178.53 | NumAromaticRings: | 1 |
Unique Aglycone
AD58431
Formula: C8H7O2Cl
Smiles:
Cc1cc(O)cc(O)c1Cl| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 0 |
| MolWt: | 158.58 | Num_heavy_atoms: | 10 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
