Glycoside
GD022921
Name:
NoneFormula:
C21H29O11N9S3Smiles:
NC(=O)c1csc(C[C@@H]2O[C@H](CNS(=O)(=O)CS(=O)(=O)NC[C@@H]3O[C@H](n4cnc5ncnc(N)c54)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)n1Aglycone:
CNS(=O)(=O)CS(=O)(=O)NC.Cc1nc(C(N)=O)cs1.Nc1ncnc2c1[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.57 |
| AlogP: | -4.89 | Num_rotatable_bonds: | 12 |
| MolWt: | 679.72 | Num_heavy_atoms: | 44 |
| TPSA: | 317.32 | NumAromaticRings: | 3 |
Unique Aglycone
AD08370
Formula: C5H4N5
Smiles:
Nc1ncnc2c1[N]C=N2| 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 |
AD09705
Formula: C3H10O4N2S2
Smiles:
CNS(=O)(=O)CS(=O)(=O)NC| HBA: | 6 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -1.96 | Num_rotatable_bonds: | 4 |
| MolWt: | 202.26 | Num_heavy_atoms: | 11 |
| TPSA: | 92.34 | NumAromaticRings: | 0 |
AD15475
Formula: C5H6ON2S
Smiles:
Cc1nc(C(N)=O)cs1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 1 |
| MolWt: | 142.18 | Num_heavy_atoms: | 9 |
| TPSA: | 55.98 | NumAromaticRings: | 1 |
