Glycoside
GD090876
Name:
NoneFormula:
C17H17O6N5Cl2Smiles:
C[C@]1(C(=O)Nc2ncnc3c2[nH]c(=O)n3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CC1(Cl)ClAglycone:
CC1(C(=O)Nc2ncnc3[nH]c(=O)[nH]c23)CC1(Cl)ClSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -0.75 | Num_rotatable_bonds: | 4 |
| MolWt: | 434.24 | Num_heavy_atoms: | 28 |
| TPSA: | 162.59 | NumAromaticRings: | 2 |
Unique Aglycone
AD39566
Formula: C12H9O2N5Cl2
Smiles:
CC1(C(=O)Nc2ncnc3[nH]c(=O)[nH]c23)CC1(Cl)Cl| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 302.12 | Num_heavy_atoms: | 19 |
| TPSA: | 103.53 | NumAromaticRings: | 2 |
