Glycoside
GD080598
Name:
NoneFormula:
C14H22O8N4SSmiles:
NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1NS(=O)(=O)C[C@@H]1CCCO1Aglycone:
NC(=O)C1=C(NS(=O)(=O)CC2CCCO2)[N]C=N1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.71 |
| AlogP: | -2.49 | Num_rotatable_bonds: | 7 |
| MolWt: | 406.42 | Num_heavy_atoms: | 27 |
| TPSA: | 186.23 | NumAromaticRings: | 1 |
Unique Aglycone
AD36451
Formula: C9H13O4N4S
Smiles:
NC(=O)C1=C(NS(=O)(=O)CC2CCCO2)[N]C=N1| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | -1.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 273.29 | Num_heavy_atoms: | 18 |
| TPSA: | 124.95 | NumAromaticRings: | 0 |
