Glycoside
GD114150
Name:
2-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl 8-[4-oxo-5-(pent-2-en-1-yl)cyclopent-2-en-1-yl]octanoateFormula:
C27H44O10Smiles:
CCC=CCC1C(=O)C=CC1CCCCCCCC(=O)OCC(O)COC1OC(CO)C(O)C(O)C1OAglycone:
CCC=CCC1C(=O)C=CC1CCCCCCCC(=O)OCC(O)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.78 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 17 |
| MolWt: | 528.64 | Num_heavy_atoms: | 37 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD44858
Formula: C21H34O5
Smiles:
CCC=CCC1C(=O)C=CC1CCCCCCCC(=O)OCC(O)CO| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | 3.34 | Num_rotatable_bonds: | 14 |
| MolWt: | 366.5 | Num_heavy_atoms: | 26 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
