Glycoside
GD025945
Name:
NoneFormula:
C21H22O6N6SSmiles:
NS(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c(NCc4cccc5ccccc45)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NCc2cccc3ccccc23)[N]1.COS(N)(=O)=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 7 |
| MolWt: | 486.51 | Num_heavy_atoms: | 34 |
| TPSA: | 174.71 | 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 |
AD12945
Formula: C16H12N5
Smiles:
C1=Nc2c(ncnc2NCc2cccc3ccccc23)[N]1| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 3.15 | Num_rotatable_bonds: | 3 |
| MolWt: | 274.31 | Num_heavy_atoms: | 21 |
| TPSA: | 64.27 | NumAromaticRings: | 3 |
