Glycoside
GD005476
Name:
NoneFormula:
C15H22O8N8SSmiles:
NC(=O)CC[C@H](N)C(=O)NS(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
COS(=O)(=O)NC(=O)C(N)CCC(N)=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.53 |
| AlogP: | -4.0 | Num_rotatable_bonds: | 9 |
| MolWt: | 474.46 | Num_heavy_atoms: | 32 |
| TPSA: | 260.89 | 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 |
AD04653
Formula: C6H13O5N3S
Smiles:
COS(=O)(=O)NC(=O)C(N)CCC(N)=O| HBA: | 8 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -2.41 | Num_rotatable_bonds: | 6 |
| MolWt: | 239.25 | Num_heavy_atoms: | 15 |
| TPSA: | 141.58 | NumAromaticRings: | 0 |
