Glycoside
GD001314
Name:
NoneFormula:
C15H15O4N3SSmiles:
OC[C@@H]1O[C@H](n2cnc3c(-c4cccs4)ccnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(-c3cccs3)ccnc2[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 3 |
| MolWt: | 333.37 | Num_heavy_atoms: | 23 |
| TPSA: | 100.63 | NumAromaticRings: | 3 |
Unique Aglycone
AD01347
Formula: C10H6N3S
Smiles:
C1=Nc2c(-c3cccs3)ccnc2[N]1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 1 |
| MolWt: | 200.25 | Num_heavy_atoms: | 14 |
| TPSA: | 39.35 | NumAromaticRings: | 2 |
