Glycoside
GD134331
Name:
[3,4,5-tris(acetyloxy)-6-{[3-(acetyloxy)phenyl](cyano)methoxy}oxan-2-yl]methyl acetateFormula:
C24H27O12NSmiles:
CC(=O)OCC1OC(OC(C#N)c2cccc(OC(C)=O)c2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
CC(=O)Oc1cccc(C(O)C#N)c1.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 9 |
| MolWt: | 521.48 | Num_heavy_atoms: | 37 |
| TPSA: | 173.75 | NumAromaticRings: | 1 |
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 |
AD54351
Formula: C10H9O3N
Smiles:
CC(=O)Oc1cccc(C(O)C#N)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 191.19 | Num_heavy_atoms: | 14 |
| TPSA: | 70.32 | NumAromaticRings: | 1 |
