Glycoside
GD012616
Name:
NoneFormula:
C13H14O5N6SSmiles:
Nc1ncnc2c1c1c(=S)[nH]c(=O)[nH]c1n2C1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1-c1c([nH]c(=O)[nH]c1=S)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.38 |
| AlogP: | -1.48 | Num_rotatable_bonds: | 2 |
| MolWt: | 366.36 | Num_heavy_atoms: | 25 |
| TPSA: | 175.3 | NumAromaticRings: | 3 |
Unique Aglycone
AD09496
Formula: C8H5ON6S
Smiles:
Nc1ncnc2c1-c1c([nH]c(=O)[nH]c1=S)[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 0 |
| MolWt: | 233.24 | Num_heavy_atoms: | 16 |
| TPSA: | 114.55 | NumAromaticRings: | 2 |
