Glycoside
GD133671
Name:
6-(benzoyloxy)-3-(cyanomethylidene)-2-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl 1H-pyrrole-3-carboxylateFormula:
C26H28O11N2Smiles:
N#CC=C1C(OC2OC(CO)C(O)C(O)C2O)CC(OC(=O)c2ccccc2)C(OC(=O)c2cc[nH]c2)C1OAglycone:
N#CC=C1C(O)CC(OC(=O)c2ccccc2)C(OC(=O)c2cc[nH]c2)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 7 |
| MolWt: | 544.51 | Num_heavy_atoms: | 39 |
| TPSA: | 211.79 | NumAromaticRings: | 2 |
Unique Aglycone
AD54086
Formula: C20H18O6N2
Smiles:
N#CC=C1C(O)CC(OC(=O)c2ccccc2)C(OC(=O)c2cc[nH]c2)C1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 1.34 | Num_rotatable_bonds: | 4 |
| MolWt: | 382.37 | Num_heavy_atoms: | 28 |
| TPSA: | 132.64 | NumAromaticRings: | 2 |
