Glycoside
GD139102
Name:
[3,4,5-tris(acetyloxy)-6-[(1-cyanocyclopent-2-en-1-yl)oxy]oxan-2-yl]methyl acetateFormula:
C20H25O10NSmiles:
CC(=O)OCC1OC(OC2(C#N)C=CCC2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.N#CC1(O)C=CCC1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.65 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 7 |
| MolWt: | 439.42 | Num_heavy_atoms: | 31 |
| TPSA: | 147.45 | 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 |
AD50557
Formula: C6H7ON
Smiles:
N#CC1(O)C=CCC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 0 |
| MolWt: | 109.13 | Num_heavy_atoms: | 8 |
| TPSA: | 44.02 | NumAromaticRings: | 0 |
