Glycoside
GD015170
Name:
NoneFormula:
C19H22O9N2SSmiles:
COC(=O)c1sc(-c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)cc1NC(N)=OAglycone:
COC(=O)c1sc(-c2ccc(O)cc2)cc1NC(N)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.37 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 6 |
| MolWt: | 454.46 | Num_heavy_atoms: | 31 |
| TPSA: | 180.8 | NumAromaticRings: | 2 |
Unique Aglycone
AD11055
Formula: C13H12O4N2S
Smiles:
COC(=O)c1sc(-c2ccc(O)cc2)cc1NC(N)=O| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.08 |
| AlogP: | 2.4 | Num_rotatable_bonds: | 3 |
| MolWt: | 292.32 | Num_heavy_atoms: | 20 |
| TPSA: | 101.65 | NumAromaticRings: | 2 |
