Glycoside
GD152246
Name:
[3,4,5-tris(acetyloxy)-6-isothiocyanatooxan-2-yl]methyl acetateFormula:
C15H19O9NSSmiles:
CC(=O)OCC1OC(N=C=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(N=C=S)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 6 |
| MolWt: | 389.38 | Num_heavy_atoms: | 26 |
| TPSA: | 126.79 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
