Glycoside
GD006145
Name:
NoneFormula:
C15H21O8N7SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)N2CCOCC2)[C@H](O)[C@H]1OAglycone:
COS(=O)(=O)NC(=O)N1CCOCC1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -2.67 | Num_rotatable_bonds: | 5 |
| MolWt: | 459.44 | Num_heavy_atoms: | 31 |
| TPSA: | 204.25 | 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 |
AD05113
Formula: C6H12O5N2S
Smiles:
COS(=O)(=O)NC(=O)N1CCOCC1| HBA: | 7 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 2 |
| MolWt: | 224.24 | Num_heavy_atoms: | 14 |
| TPSA: | 84.94 | NumAromaticRings: | 0 |
