Glycoside
GD015206
Name:
NoneFormula:
C24H28O7N6SSmiles:
C=C(CCC=CS(=O)(=O)NC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O)c1ccccc1C(=O)OCAglycone:
C=C(CCC=CS(=O)(=O)NC)c1ccccc1C(=O)OC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 10 |
| MolWt: | 544.59 | Num_heavy_atoms: | 38 |
| TPSA: | 191.78 | 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 |
AD11073
Formula: C15H19O4NS
Smiles:
C=C(CCC=CS(=O)(=O)NC)c1ccccc1C(=O)OC| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.27 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 7 |
| MolWt: | 309.39 | Num_heavy_atoms: | 21 |
| TPSA: | 72.47 | NumAromaticRings: | 1 |
