Glycoside
GD133309
Name:
{6-[cyano(phenyl)methoxy]-3,4,5-trihydroxyoxan-2-yl}methyl but-2-enoateFormula:
C18H21O7NSmiles:
CC=CC(=O)OCC1OC(OC(C#N)c2ccccc2)C(O)C(O)C1OAglycone:
CC=CC(=O)OC.N#CC(O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.44 |
| AlogP: | 0.19 | Num_rotatable_bonds: | 6 |
| MolWt: | 363.37 | Num_heavy_atoms: | 26 |
| TPSA: | 129.24 | NumAromaticRings: | 1 |
Unique Aglycone
AD02571
Formula: C5H8O2
Smiles:
CC=CC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.4 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 1 |
| MolWt: | 100.12 | Num_heavy_atoms: | 7 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD02610
Formula: C8H7ON
Smiles:
N#CC(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 1 |
| MolWt: | 133.15 | Num_heavy_atoms: | 10 |
| TPSA: | 44.02 | NumAromaticRings: | 1 |
