Glycoside
GD117568
Name:
3-cyano-2-methylidene-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C20H23O9NSmiles:
C=C(COC(=O)C=Cc1ccc(O)cc1)C(C#N)OC1OC(CO)C(O)C(O)C1OAglycone:
C=C(COC(=O)C=Cc1ccc(O)cc1)C(O)C#NSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | -0.79 | Num_rotatable_bonds: | 8 |
| MolWt: | 421.4 | Num_heavy_atoms: | 30 |
| TPSA: | 169.7 | NumAromaticRings: | 1 |
Unique Aglycone
AD46890
Formula: C14H13O4N
Smiles:
C=C(COC(=O)C=Cc1ccc(O)cc1)C(O)C#N| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 5 |
| MolWt: | 259.26 | Num_heavy_atoms: | 19 |
| TPSA: | 90.55 | NumAromaticRings: | 1 |
