Glycoside
GD014936
Name:
NoneFormula:
C16H25O6N7SSmiles:
NS(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c(NCCN4CCCC4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NCCN2CCCC2)[N]1.COS(N)(=O)=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | -1.83 | Num_rotatable_bonds: | 8 |
| MolWt: | 443.49 | Num_heavy_atoms: | 30 |
| TPSA: | 177.95 | 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 |
AD10930
Formula: C11H15N6
Smiles:
C1=Nc2c(ncnc2NCCN2CCCC2)[N]1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.55 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 4 |
| MolWt: | 231.28 | Num_heavy_atoms: | 17 |
| TPSA: | 67.51 | NumAromaticRings: | 1 |
