Glycoside
GD024617
Name:
NoneFormula:
C12H17O6N7SSmiles:
NCC(=O)NS(=O)(=O)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CS(=O)(=O)NC(=O)CN.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -3.57 | Num_rotatable_bonds: | 5 |
| MolWt: | 387.38 | Num_heavy_atoms: | 26 |
| TPSA: | 208.57 | 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 |
AD16405
Formula: C3H8O3N2S
Smiles:
CS(=O)(=O)NC(=O)CN| HBA: | 5 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | -1.98 | Num_rotatable_bonds: | 2 |
| MolWt: | 152.17 | Num_heavy_atoms: | 9 |
| TPSA: | 89.26 | NumAromaticRings: | 0 |
