Glycoside
GD014167
Name:
NoneFormula:
C17H15O5N3SSmiles:
OC[C@@H]1O[C@H](n2c3ccsc3c3c(-c4ccco4)ncnc32)[C@H](O)[C@H]1OAglycone:
c1coc(-c2ncnc3c2-c2sccc2[N]3)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 3 |
| MolWt: | 373.39 | Num_heavy_atoms: | 26 |
| TPSA: | 113.77 | NumAromaticRings: | 4 |
Unique Aglycone
AD10460
Formula: C12H6ON3S
Smiles:
c1coc(-c2ncnc3c2-c2sccc2[N]3)c1| HBA: | 4 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 3.35 | Num_rotatable_bonds: | 1 |
| MolWt: | 240.27 | Num_heavy_atoms: | 17 |
| TPSA: | 53.02 | NumAromaticRings: | 3 |
