Glycoside
GD031441
Name:
NoneFormula:
C24H40O7N6SSmiles:
CCCCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CCCCCCCCCCCCCC(=O)NS(=O)(=O)OC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.75 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 17 |
| MolWt: | 556.69 | Num_heavy_atoms: | 38 |
| TPSA: | 191.78 | 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 |
AD20256
Formula: C15H31O4NS
Smiles:
CCCCCCCCCCCCCC(=O)NS(=O)(=O)OC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 3.69 | Num_rotatable_bonds: | 14 |
| MolWt: | 321.48 | Num_heavy_atoms: | 21 |
| TPSA: | 72.47 | NumAromaticRings: | 0 |
