Glycoside
GD141882
Name:
2-{[6-chloro-5,7-dihydroxy-4-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C22H33O15ClSmiles:
OCC1OC(OCC2=COC(OC3OC(CO)C(O)C(O)C3O)C3C(O)C(Cl)C(O)C23)C(O)C(O)C1OAglycone:
OCC1=COC(O)C2C(O)C(Cl)C(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.9 |
| AlogP: | -5.57 | Num_rotatable_bonds: | 7 |
| MolWt: | 560.93 | Num_heavy_atoms: | 37 |
| TPSA: | 248.45 | 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 |
