Glycoside
GD086605
Name:
NoneFormula:
C16H22O8N4SSmiles:
COC(=O)CCCS(=O)(=O)Nc1ncnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
COC(=O)CCCS(=O)(=O)Nc1ncnc2c1C=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -1.26 | Num_rotatable_bonds: | 8 |
| MolWt: | 430.44 | Num_heavy_atoms: | 29 |
| TPSA: | 173.1 | NumAromaticRings: | 2 |
Unique Aglycone
AD38323
Formula: C11H13O4N4S
Smiles:
COC(=O)CCCS(=O)(=O)Nc1ncnc2c1C=C[N]2| HBA: | 8 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 6 |
| MolWt: | 297.32 | Num_heavy_atoms: | 20 |
| TPSA: | 112.35 | NumAromaticRings: | 1 |
