Glycoside
GD023978
Name:
NoneFormula:
C13H14O5N6SSmiles:
Nc1ncnc2c1c1c(=O)[nH]c(S)nc1n2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1-c1c(nc(S)[nH]c1=O)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | -1.85 | Num_rotatable_bonds: | 2 |
| MolWt: | 366.36 | Num_heavy_atoms: | 25 |
| TPSA: | 172.4 | NumAromaticRings: | 3 |
Unique Aglycone
AD14822
Formula: C8H5ON6S
Smiles:
Nc1ncnc2c1-c1c(nc(S)[nH]c1=O)[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 0 |
| MolWt: | 233.24 | Num_heavy_atoms: | 16 |
| TPSA: | 111.65 | NumAromaticRings: | 2 |
