Glycoside
GD143588
Name:
2-{[6-chloro-5,7-dihydroxy-4-(hydroxymethyl)-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C16H23O10ClSmiles:
OCC1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(O)C(Cl)C(O)C12Aglycone:
OCC1=COC(O)C2C(O)C(Cl)C(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.87 |
| AlogP: | -3.39 | Num_rotatable_bonds: | 4 |
| MolWt: | 398.79 | Num_heavy_atoms: | 26 |
| TPSA: | 169.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD57123
Formula: C10H13O5Cl
Smiles:
OCC1=COC(O)C2C(O)C(Cl)C(O)C12| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.78 |
| AlogP: | -1.21 | Num_rotatable_bonds: | 1 |
| MolWt: | 236.65 | Num_heavy_atoms: | 15 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
