Glycoside
GD138912
Name:
[3,4-bis(acetyloxy)-6-(2-chlorophenoxy)-5-acetamidooxan-2-yl]methyl acetateFormula:
C21H24O9NClSmiles:
CC(=O)OCC1OC(Oc2ccccc2Cl)C(N=C(C)O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.Oc1ccccc1ClSugarmoiety:
CC(=O)OC1C(O)OC(O)C(N=C(C)O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 7 |
| MolWt: | 457.86 | Num_heavy_atoms: | 31 |
| TPSA: | 129.95 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD13547
Formula: C7H5OCl
Smiles:
Oc1ccccc1Cl| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 0 |
| MolWt: | 128.56 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
