Glycoside
GD020580
Name:
NoneFormula:
C14H22O8N8S2Smiles:
C[S+]([O-])(CC(N)C(=O)O)=NS(=O)(=O)NC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CNS(=O)(=O)N=[S+](C)([O-])CC(N)C(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.57 |
| AlogP: | -3.63 | Num_rotatable_bonds: | 8 |
| MolWt: | 494.51 | Num_heavy_atoms: | 32 |
| TPSA: | 264.22 | 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 |
AD14194
Formula: C5H13O5N3S2
Smiles:
CNS(=O)(=O)N=[S+](C)([O-])CC(N)C(=O)O| HBA: | 8 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | -2.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 259.31 | Num_heavy_atoms: | 15 |
| TPSA: | 144.91 | NumAromaticRings: | 0 |
