Glycoside
GD132368
Name:
[4,5-bis(acetyloxy)-6-isothiocyanato-3-{[3,4,5-tris(acetyloxy)oxan-2-yl]oxy}oxan-2-yl]methyl acetateFormula:
C24H31O15NSSmiles:
CC(=O)OCC1OC(N=C=S)C(OC(C)=O)C(OC(C)=O)C1OC1OCC(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=OSugarmoiety:
CC(=O)OC1COC(OC2C(O)OC(N=C=S)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.71 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 10 |
| MolWt: | 605.57 | Num_heavy_atoms: | 41 |
| TPSA: | 197.85 | 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 |
