Glycoside
GD071031
Name:
NoneFormula:
C14H21O5N6SSmiles:
Nc1ncnc2c([C@@H]3O[C@H](CSCC[C@H]([NH3+])C(=O)O)[C@@H](O)[C@H]3O)[nH]nc12Aglycone:
CSCCC([NH3+])C(=O)O.Nc1ncnc2c[nH]nc12Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.57 |
| AlogP: | -2.08 | Num_rotatable_bonds: | 7 |
| MolWt: | 385.43 | Num_heavy_atoms: | 26 |
| TPSA: | 195.11 | NumAromaticRings: | 2 |
Unique Aglycone
AD18613
Formula: C5H5N5
Smiles:
Nc1ncnc2c[nH]nc12| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 0 |
| MolWt: | 135.13 | Num_heavy_atoms: | 10 |
| TPSA: | 80.48 | NumAromaticRings: | 2 |
AD24656
Formula: C5H12O2NS
Smiles:
CSCCC([NH3+])C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 4 |
| MolWt: | 150.22 | Num_heavy_atoms: | 9 |
| TPSA: | 64.94 | NumAromaticRings: | 0 |
