Glycoside
GD124849
Name:
2-(hydroxymethyl)-6-[(2-phenylethanimidoyl)sulfanyl]oxane-3,4,5-triolFormula:
C14H19O5NSSmiles:
N=C(Cc1ccccc1)SC1OC(CO)C(O)C(O)C1OAglycone:
N=C(S)Cc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 4 |
| MolWt: | 313.37 | Num_heavy_atoms: | 21 |
| TPSA: | 114.0 | NumAromaticRings: | 1 |
Unique Aglycone
AD50462
Formula: C8H9NS
Smiles:
N=C(S)Cc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 2.14 | Num_rotatable_bonds: | 2 |
| MolWt: | 151.23 | Num_heavy_atoms: | 10 |
| TPSA: | 23.85 | NumAromaticRings: | 1 |
