Glycoside
GD036241
Name:
NoneFormula:
C18H20O7N6SSmiles:
NS(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c(CNC(=O)c4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
COS(N)(=O)=O.O=C(NCc1ncnc2c1N=C[N]2)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -1.4 | Num_rotatable_bonds: | 7 |
| MolWt: | 464.46 | Num_heavy_atoms: | 32 |
| TPSA: | 191.78 | NumAromaticRings: | 3 |
Unique Aglycone
AD00036
Formula: CH5O3NS
Smiles:
COS(N)(=O)=O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.39 | NumAromaticRings: | 0 |
AD22877
Formula: C13H10ON5
Smiles:
O=C(NCc1ncnc2c1N=C[N]2)c1ccccc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 1.32 | Num_rotatable_bonds: | 3 |
| MolWt: | 252.26 | Num_heavy_atoms: | 19 |
| TPSA: | 81.34 | NumAromaticRings: | 2 |
