Glycoside
GD102171
Name:
NoneFormula:
C16H20O6NSISmiles:
C/C(I)=C/C(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
CC(I)=CC(=O)Nc1ccc(S)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | 0.86 | Num_rotatable_bonds: | 5 |
| MolWt: | 481.31 | Num_heavy_atoms: | 25 |
| TPSA: | 119.25 | NumAromaticRings: | 1 |
Unique Aglycone
AD43237
Formula: C10H10ONSI
Smiles:
CC(I)=CC(=O)Nc1ccc(S)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 3.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 319.17 | Num_heavy_atoms: | 14 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
