Glycoside
GD002838
Name:
NoneFormula:
C22H24O10N6SSmiles:
COC(=O)c1ccccc1C(=O)CCC(=O)NS(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
COC(=O)c1ccccc1C(=O)CCC(=O)NS(=O)(=O)OC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | -1.14 | Num_rotatable_bonds: | 10 |
| MolWt: | 564.53 | Num_heavy_atoms: | 39 |
| TPSA: | 235.15 | 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 |
AD02661
Formula: C13H15O7NS
Smiles:
COC(=O)c1ccccc1C(=O)CCC(=O)NS(=O)(=O)OC| HBA: | 8 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 7 |
| MolWt: | 329.33 | Num_heavy_atoms: | 22 |
| TPSA: | 115.84 | NumAromaticRings: | 1 |
