Glycoside
GD117997
Name:
methyl 3-hydroxy-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}dodeca-4,11-dien-6,8-diynoateFormula:
C19H24O9Smiles:
C=CC(C#CC#CC=CC(O)CC(=O)OC)OC1OC(CO)C(O)C(O)C1OAglycone:
C=CC(O)C#CC#CC=CC(O)CC(=O)OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -2.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 396.39 | Num_heavy_atoms: | 28 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD47117
Formula: C13H14O4
Smiles:
C=CC(O)C#CC#CC=CC(O)CC(=O)OC| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 4 |
| MolWt: | 234.25 | Num_heavy_atoms: | 17 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
