Glycoside
GD070774
Name:
NoneFormula:
C18H21O5NSSmiles:
OC[C@@H]1O[C@@H](Sc2ccc(Nc3ccccc3)cc2)[C@@H](O)[C@@H](O)[C@H]1OAglycone:
Sc1ccc(Nc2ccccc2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 1.32 | Num_rotatable_bonds: | 5 |
| MolWt: | 363.44 | Num_heavy_atoms: | 25 |
| TPSA: | 102.18 | NumAromaticRings: | 2 |
Unique Aglycone
AD33492
Formula: C12H11NS
Smiles:
Sc1ccc(Nc2ccccc2)cc1| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 3.72 | Num_rotatable_bonds: | 2 |
| MolWt: | 201.29 | Num_heavy_atoms: | 14 |
| TPSA: | 12.03 | NumAromaticRings: | 2 |
