Glycoside
GD085332
Name:
NoneFormula:
C18H21O5N5SSmiles:
Nc1nc2c(nc(SCCc3ccccc3)n2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
Nc1nc2c(c(=O)[nH]1)N=C(SCCc1ccccc1)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 6 |
| MolWt: | 419.46 | Num_heavy_atoms: | 29 |
| TPSA: | 159.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD37138
Formula: C13H12ON5S
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C(SCCc1ccccc1)[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.15 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 3 |
| MolWt: | 286.34 | Num_heavy_atoms: | 20 |
| TPSA: | 98.23 | NumAromaticRings: | 2 |
