Glycoside
GD009002
Name:
NoneFormula:
C18H18O5N6S2Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNS(=O)(=O)c2cc3ccccc3s2)[C@H](O)[C@H]1OAglycone:
CNS(=O)(=O)c1cc2ccccc2s1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.28 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 5 |
| MolWt: | 462.51 | Num_heavy_atoms: | 31 |
| TPSA: | 165.48 | NumAromaticRings: | 4 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD07114
Formula: C9H9O2NS2
Smiles:
CNS(=O)(=O)c1cc2ccccc2s1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 2 |
| MolWt: | 227.31 | Num_heavy_atoms: | 14 |
| TPSA: | 46.17 | NumAromaticRings: | 2 |
