Glycoside
GD147876
Name:
(6-chloro-5,7-dihydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-7-yl)methyl benzoateFormula:
C23H27O11ClSmiles:
O=C(OCC1(O)C(Cl)C(O)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C21)c1ccccc1Aglycone:
O=C(OCC1(O)C(Cl)C(O)C2C=COC(O)C21)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.59 |
| AlogP: | -1.52 | Num_rotatable_bonds: | 6 |
| MolWt: | 502.9 | Num_heavy_atoms: | 34 |
| TPSA: | 175.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD59200
Formula: C17H17O6Cl
Smiles:
O=C(OCC1(O)C(Cl)C(O)C2C=COC(O)C21)c1ccccc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.44 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 3 |
| MolWt: | 340.76 | Num_heavy_atoms: | 23 |
| TPSA: | 96.22 | NumAromaticRings: | 1 |
