Glycoside
GD070790
Name:
NoneFormula:
C17H23O5NSSmiles:
OC[C@@H]1O[C@@H](Sc2ccc(NC3=CCCC3)cc2)[C@H](O)[C@@H](O)[C@H]1OAglycone:
Sc1ccc(NC2=CCCC2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 5 |
| MolWt: | 353.44 | Num_heavy_atoms: | 24 |
| TPSA: | 102.18 | NumAromaticRings: | 1 |
Unique Aglycone
AD33501
Formula: C11H13NS
Smiles:
Sc1ccc(NC2=CCCC2)cc1| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.27 |
| AlogP: | 3.46 | Num_rotatable_bonds: | 2 |
| MolWt: | 191.3 | Num_heavy_atoms: | 13 |
| TPSA: | 12.03 | NumAromaticRings: | 1 |
