Glycoside
GD012698
Name:
NoneFormula:
C19H21O8N3SSmiles:
COc1cc(OC)cc(-c2noc(-c3csc([C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)n3)n2)c1Aglycone:
COc1cc(OC)cc(-c2noc(-c3cscn3)n2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 6 |
| MolWt: | 451.46 | Num_heavy_atoms: | 31 |
| TPSA: | 160.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD09547
Formula: C13H11O3N3S
Smiles:
COc1cc(OC)cc(-c2noc(-c3cscn3)n2)c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.15 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 4 |
| MolWt: | 289.32 | Num_heavy_atoms: | 20 |
| TPSA: | 70.27 | NumAromaticRings: | 3 |
