Glycoside
GD027394
Name:
NoneFormula:
C14H20O8N8SSmiles:
NC(=O)CCC(N)C(=O)NS(=O)(=O)O[C@@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
NC(=O)CCC(N)C(=O)NS(=O)(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.5 |
| AlogP: | -4.04 | Num_rotatable_bonds: | 8 |
| MolWt: | 460.43 | Num_heavy_atoms: | 31 |
| 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 |
AD18005
Formula: C5H11O5N3S
Smiles:
NC(=O)CCC(N)C(=O)NS(=O)(=O)O| HBA: | 8 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | -2.5 | Num_rotatable_bonds: | 5 |
| MolWt: | 225.23 | Num_heavy_atoms: | 14 |
| TPSA: | 152.58 | NumAromaticRings: | 0 |
