Glycoside
GD028347
Name:
NoneFormula:
C25H34O13N4SSmiles:
[N-]=[N+]=Nc1cccc2c(S(=O)(=O)NCCO[C@@H]3O[C@H](C[C@H](CO)OC4O[C@H]([C@H](O)CO)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)cccc12Aglycone:
CC(O)CO.[N-]=[N+]=Nc1cccc2c(S(=O)(=O)NCCO)cccc12Sugarmoiety:
OCC(CC(O)OO)OC1OC(C(O)CO)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.6 |
| AlogP: | -1.91 | Num_rotatable_bonds: | 14 |
| MolWt: | 630.63 | Num_heavy_atoms: | 43 |
| TPSA: | 273.46 | NumAromaticRings: | 2 |
Unique Aglycone
AD05567
Formula: C3H8O2
Smiles:
CC(O)CO| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 1 |
| MolWt: | 76.09 | Num_heavy_atoms: | 5 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
AD10666
Formula: C12H12O3N4S
Smiles:
[N-]=[N+]=Nc1cccc2c(S(=O)(=O)NCCO)cccc12| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 5 |
| MolWt: | 292.32 | Num_heavy_atoms: | 20 |
| TPSA: | 115.16 | NumAromaticRings: | 2 |
