Glycoside
GD101505
Name:
NoneFormula:
C19H23O9N4ClSmiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2nnc(Cl)cc2N)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.Nc1cc(Cl)nnc1NSugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 7 |
| MolWt: | 474.85 | Num_heavy_atoms: | 32 |
| TPSA: | 178.26 | 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 |
AD42965
Formula: C5H5N4Cl
Smiles:
Nc1cc(Cl)nnc1N| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.29 | Num_rotatable_bonds: | 0 |
| MolWt: | 144.57 | Num_heavy_atoms: | 9 |
| TPSA: | 77.82 | NumAromaticRings: | 1 |
