Glycoside
GD069655
Name:
NoneFormula:
C16H21O6NSSmiles:
OC[C@@H]1O[C@@H](Sc2ccc(NC3=CCOC3)cc2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Sc1ccc(NC2=CCOC2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.1 | Num_rotatable_bonds: | 5 |
| MolWt: | 355.41 | Num_heavy_atoms: | 24 |
| TPSA: | 111.41 | NumAromaticRings: | 1 |
Unique Aglycone
AD33020
Formula: C10H11ONS
Smiles:
Sc1ccc(NC2=CCOC2)cc1| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 2 |
| MolWt: | 193.27 | Num_heavy_atoms: | 13 |
| TPSA: | 21.26 | NumAromaticRings: | 1 |
