Glycoside
GD010803
Name:
NoneFormula:
C15H21O7N7SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)[C@@H]2CCCN2)[C@H](O)[C@H]1OAglycone:
COS(=O)(=O)NC(=O)C1CCCN1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | -2.84 | Num_rotatable_bonds: | 6 |
| MolWt: | 443.44 | Num_heavy_atoms: | 30 |
| TPSA: | 203.81 | NumAromaticRings: | 2 |
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 |
AD08297
Formula: C6H12O4N2S
Smiles:
COS(=O)(=O)NC(=O)C1CCCN1| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | -1.25 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.24 | Num_heavy_atoms: | 13 |
| TPSA: | 84.5 | NumAromaticRings: | 0 |
