Glycoside
GD097221
Name:
NoneFormula:
C16H15O6N6Cl3SSmiles:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NS(=O)(=O)C(Cl)(Cl)Cl)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCNC=O.O=S(=O)(Nc1ncnc2c1N=C[N]2)C(Cl)(Cl)ClSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.54 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 5 |
| MolWt: | 489.73 | Num_heavy_atoms: | 29 |
| TPSA: | 168.56 | NumAromaticRings: | 2 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD39156
Formula: C9H3O2N5Cl3S
Smiles:
O=S(=O)(Nc1ncnc2c1N=C[N]2)C(Cl)(Cl)Cl| HBA: | 7 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 2 |
| MolWt: | 315.55 | Num_heavy_atoms: | 17 |
| TPSA: | 98.41 | NumAromaticRings: | 1 |
