Glycoside
GD011491
Name:
NoneFormula:
C15H21O5NSSmiles:
CC(=S)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1OCc1ccccc1Aglycone:
OCc1ccccc1Sugarmoiety:
CC(=S)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 5 |
| MolWt: | 327.4 | Num_heavy_atoms: | 22 |
| TPSA: | 91.18 | NumAromaticRings: | 1 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
