Glycoside
GD085556
Name:
NoneFormula:
C17H17O7N4ClSmiles:
CC(=O)OC[C@H]1O[C@@H](c2[nH]nc3c(Cl)ncnc23)[C@@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.Clc1ncnc2c[nH]nc12Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 5 |
| MolWt: | 412.79 | Num_heavy_atoms: | 28 |
| TPSA: | 142.59 | NumAromaticRings: | 2 |
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 |
AD38161
Formula: C6H3N4Cl
Smiles:
Clc1ncnc2c[nH]nc12| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 0 |
| MolWt: | 154.56 | Num_heavy_atoms: | 10 |
| TPSA: | 54.46 | NumAromaticRings: | 2 |
