Glycoside
GD091305
Name:
NoneFormula:
C18H21O6N5SSmiles:
CNS(=O)(=O)c1ccccc1Nc1ncnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
CNS(=O)(=O)c1ccccc1Nc1ncnc2c1C=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 6 |
| MolWt: | 435.46 | Num_heavy_atoms: | 30 |
| TPSA: | 158.83 | NumAromaticRings: | 3 |
Unique Aglycone
AD39829
Formula: C13H12O2N5S
Smiles:
CNS(=O)(=O)c1ccccc1Nc1ncnc2c1C=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 4 |
| MolWt: | 302.34 | Num_heavy_atoms: | 21 |
| TPSA: | 98.08 | NumAromaticRings: | 2 |
