Glycoside
GD077468
Name:
NoneFormula:
C17H18O5N4SSmiles:
O=c1[nH]cnc2c1nc(SCc1ccccc1)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1OAglycone:
O=c1[nH]cnc2c1N=C(SCc1ccccc1)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 390.42 | Num_heavy_atoms: | 27 |
| TPSA: | 133.49 | NumAromaticRings: | 3 |
Unique Aglycone
AD35487
Formula: C12H9ON4S
Smiles:
O=c1[nH]cnc2c1N=C(SCc1ccccc1)[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 2 |
| MolWt: | 257.3 | Num_heavy_atoms: | 18 |
| TPSA: | 72.21 | NumAromaticRings: | 2 |
