Glycoside
GD117797
Name:
16-oxo-16-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexadeca-2,4,6,8,10,12,14-heptaenoic acidFormula:
C22H26O9Smiles:
O=C(O)C=CC=CC=CC=CC=CC=CC=CC(=O)OC1OC(CO)C(O)C(O)C1OAglycone:
O=C(O)C=CC=CC=CC=CC=CC=CC=CC(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.27 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 10 |
| MolWt: | 434.44 | Num_heavy_atoms: | 31 |
| TPSA: | 153.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD47017
Formula: C16H16O4
Smiles:
O=C(O)C=CC=CC=CC=CC=CC=CC=CC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 3.05 | Num_rotatable_bonds: | 8 |
| MolWt: | 272.3 | Num_heavy_atoms: | 20 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
