Glycoside
GD019747
Name:
NoneFormula:
C23H26O9N6SSmiles:
C=C(CCC(=O)NS(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O)c1ccccc1C(=O)OCAglycone:
C=C(CCC(=O)NS(=O)(=O)OC)c1ccccc1C(=O)OC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 10 |
| MolWt: | 562.56 | Num_heavy_atoms: | 39 |
| TPSA: | 218.08 | NumAromaticRings: | 3 |
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 |
AD13742
Formula: C14H17O6NS
Smiles:
C=C(CCC(=O)NS(=O)(=O)OC)c1ccccc1C(=O)OC| HBA: | 7 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 7 |
| MolWt: | 327.36 | Num_heavy_atoms: | 22 |
| TPSA: | 98.77 | NumAromaticRings: | 1 |
