Glycoside
GD032305
Name:
NoneFormula:
C13H17O6N5SSmiles:
NS(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c(C4CC4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2C2CC2)[N]1.COS(N)(=O)=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -1.46 | Num_rotatable_bonds: | 5 |
| MolWt: | 371.38 | Num_heavy_atoms: | 25 |
| TPSA: | 162.68 | NumAromaticRings: | 2 |
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 |
AD01191
Formula: C8H7N4
Smiles:
C1=Nc2c(ncnc2C2CC2)[N]1| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.38 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 1 |
| MolWt: | 159.17 | Num_heavy_atoms: | 12 |
| TPSA: | 52.24 | NumAromaticRings: | 1 |
