Glycoside
GD014011
Name:
NoneFormula:
C17H23O7N5SSmiles:
CN(C)C=NS(=O)(=O)c1ccc(-c2n[nH]c([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)n2)cc1Aglycone:
CN(C)C=NS(=O)(=O)c1ccc(-c2nc[nH]n2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -1.73 | Num_rotatable_bonds: | 6 |
| MolWt: | 441.47 | Num_heavy_atoms: | 30 |
| TPSA: | 181.46 | NumAromaticRings: | 2 |
Unique Aglycone
AD10377
Formula: C11H13O2N5S
Smiles:
CN(C)C=NS(=O)(=O)c1ccc(-c2nc[nH]n2)cc1| HBA: | 7 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 4 |
| MolWt: | 279.32 | Num_heavy_atoms: | 19 |
| TPSA: | 91.31 | NumAromaticRings: | 2 |
