Glycoside
GD022473
Name:
NoneFormula:
C15H22O9N6SSmiles:
COCCC(O)C(=O)NS(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
COCCC(O)C(=O)NS(=O)(=O)OC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | -3.2 | Num_rotatable_bonds: | 9 |
| MolWt: | 462.44 | Num_heavy_atoms: | 31 |
| TPSA: | 221.24 | 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 |
AD15232
Formula: C6H13O6NS
Smiles:
COCCC(O)C(=O)NS(=O)(=O)OC| HBA: | 7 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | -1.61 | Num_rotatable_bonds: | 6 |
| MolWt: | 227.24 | Num_heavy_atoms: | 14 |
| TPSA: | 101.93 | NumAromaticRings: | 0 |
