Glycoside
GD104604
Name:
NoneFormula:
C20H16O7N4Cl2Smiles:
C#C[C@@H](OC(C)=O)[C@H]1O[C@@H](n2cnc3c(Cl)nc(Cl)nc32)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
C#CCOC(C)=O.Clc1nc(Cl)c2c(n1)[N]C=N2Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.44 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 5 |
| MolWt: | 471.25 | Num_heavy_atoms: | 31 |
| TPSA: | 131.73 | NumAromaticRings: | 2 |
Unique Aglycone
AD05729
Formula: C7HN4Cl2
Smiles:
Clc1nc(Cl)c2c(n1)[N]C=N2| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 0 |
| MolWt: | 188.0 | Num_heavy_atoms: | 11 |
| TPSA: | 52.24 | NumAromaticRings: | 1 |
AD44003
Formula: C5H6O2
Smiles:
C#CCOC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.4 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 98.1 | Num_heavy_atoms: | 7 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
