Glycoside
GD093810
Name:
NoneFormula:
C16H20O9N6SSmiles:
CC(=O)OC[C@H]1O[C@@H](n2cnc3c(NS(N)(=O)=O)ncnc32)[C@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.NS(=O)(=O)Nc1ncnc2c1N=C[N]2Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -1.23 | Num_rotatable_bonds: | 7 |
| MolWt: | 472.44 | Num_heavy_atoms: | 32 |
| TPSA: | 203.92 | NumAromaticRings: | 2 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD27264
Formula: C5H5O2N6S
Smiles:
NS(=O)(=O)Nc1ncnc2c1N=C[N]2| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 2 |
| MolWt: | 213.2 | Num_heavy_atoms: | 14 |
| TPSA: | 124.43 | NumAromaticRings: | 1 |
