Glycoside
GD152057
Name:
3-(benzoyloxy)-6-(cyanomethylidene)-2-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl benzoateFormula:
C28H29O11NSmiles:
N#CC=C1C(OC2OC(CO)C(O)C(O)C2O)CC(OC(=O)c2ccccc2)C(O)C1OC(=O)c1ccccc1Aglycone:
N#CC=C1C(O)CC(OC(=O)c2ccccc2)C(O)C1OC(=O)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 555.54 | Num_heavy_atoms: | 40 |
| TPSA: | 196.0 | NumAromaticRings: | 2 |
Unique Aglycone
AD60577
Formula: C22H19O6N
Smiles:
N#CC=C1C(O)CC(OC(=O)c2ccccc2)C(O)C1OC(=O)c1ccccc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.23 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 4 |
| MolWt: | 393.4 | Num_heavy_atoms: | 29 |
| TPSA: | 116.85 | NumAromaticRings: | 2 |
