Glycoside
GD158053
Name:
2,6,11,15-tetramethyl-16-oxo-16-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexadeca-2,4,6,8,10,12,14-heptaenoic acidFormula:
C26H34O9Smiles:
CC(C=CC=C(C)C(=O)O)=CC=CC=C(C)C=CC=C(C)C(=O)OC1OC(CO)C(O)C(O)C1OAglycone:
CC(C=CC=C(C)C(=O)O)=CC=CC=C(C)C=CC=C(C)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 10 |
| MolWt: | 490.55 | Num_heavy_atoms: | 35 |
| TPSA: | 153.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD08706
Formula: C20H24O4
Smiles:
CC(C=CC=C(C)C(=O)O)=CC=CC=C(C)C=CC=C(C)C(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 4.61 | Num_rotatable_bonds: | 8 |
| MolWt: | 328.41 | Num_heavy_atoms: | 24 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
