Glycoside
GD006622
Name:
NoneFormula:
C19H19O6N7SSmiles:
NS(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c(-c4cccc(-n5cccn5)c4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2-c2cccc(-n3cccn3)c2)[N]1.COS(N)(=O)=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.26 |
| AlogP: | -0.48 | Num_rotatable_bonds: | 6 |
| MolWt: | 473.47 | Num_heavy_atoms: | 33 |
| TPSA: | 180.5 | NumAromaticRings: | 4 |
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 |
AD05466
Formula: C14H9N6
Smiles:
C1=Nc2c(ncnc2-c2cccc(-n3cccn3)c2)[N]1| HBA: | 6 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 2 |
| MolWt: | 261.27 | Num_heavy_atoms: | 20 |
| TPSA: | 70.06 | NumAromaticRings: | 3 |
