Glycoside
GD008954
Name:
NoneFormula:
C19H27O9N6ClSSmiles:
CO[C@H](C(=O)NS(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c(N)nc(Cl)nc32)[C@H](O)[C@H]1O)[C@H](OC)C(C)CAglycone:
COC(C(=O)NS(=O)(=O)OC)C(OC)C(C)C.Nc1nc(Cl)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -1.26 | Num_rotatable_bonds: | 10 |
| MolWt: | 538.97 | Num_heavy_atoms: | 35 |
| TPSA: | 210.24 | NumAromaticRings: | 2 |
Unique Aglycone
AD00532
Formula: C6H3N5Cl
Smiles:
Nc1nc(Cl)nc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 0 |
| MolWt: | 168.57 | Num_heavy_atoms: | 11 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD07083
Formula: C9H19O6NS
Smiles:
COC(C(=O)NS(=O)(=O)OC)C(OC)C(C)C| HBA: | 7 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.89 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 7 |
| MolWt: | 269.32 | Num_heavy_atoms: | 17 |
| TPSA: | 90.93 | NumAromaticRings: | 0 |
