Glycoside
GD128419
Name:
4-(cyanomethylidene)-3-hydroxy-2-[(3-phenylprop-2-enoyl)oxy]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl benzoateFormula:
C30H31O11NSmiles:
N#CC=C1C(OC2OC(CO)C(O)C(O)C2O)CC(OC(=O)c2ccccc2)C(OC(=O)C=Cc2ccccc2)C1OAglycone:
N#CC=C1C(O)CC(OC(=O)c2ccccc2)C(OC(=O)C=Cc2ccccc2)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 8 |
| MolWt: | 581.57 | Num_heavy_atoms: | 42 |
| TPSA: | 196.0 | NumAromaticRings: | 2 |
Unique Aglycone
AD52016
Formula: C24H21O6N
Smiles:
N#CC=C1C(O)CC(OC(=O)c2ccccc2)C(OC(=O)C=Cc2ccccc2)C1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.21 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 5 |
| MolWt: | 419.43 | Num_heavy_atoms: | 31 |
| TPSA: | 116.85 | NumAromaticRings: | 2 |
