Glycoside
GD008831
Name:
NoneFormula:
C11H11O5N4ClSmiles:
OC[C@@H]1OC(n2cc3c(O)nc(Cl)nc3n2)[C@H](O)[C@H]1OAglycone:
Oc1nc(Cl)nc2c1=C[N]N=2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 302.67 | Num_heavy_atoms: | 20 |
| TPSA: | 133.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD07002
Formula: C6H2ON4Cl
Smiles:
Oc1nc(Cl)nc2c1=C[N]N=2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | -1.27 | Num_rotatable_bonds: | 0 |
| MolWt: | 169.55 | Num_heavy_atoms: | 11 |
| TPSA: | 72.47 | NumAromaticRings: | 1 |
