Glycoside
GD126316
Name:
14-O-Α-D-Mannopyranosyl-(2E,4E,7R,8E,10E,12E,14S)-7,9,13,17-Tetramethyl-7,14-Dihydroxy-2,4,8,10,12,16-Octadecahexaenoic AcidFormula:
C28H42O9Smiles:
CC(C)=CCC(OC1OC(CO)C(O)C(O)C1O)C(C)=CC=CC(C)=CC(C)(O)CC=CC=CC(=O)OAglycone:
CC(C)=CCC(O)C(C)=CC=CC(C)=CC(C)(O)CC=CC=CC(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 13 |
| MolWt: | 522.64 | Num_heavy_atoms: | 37 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD51101
Formula: C22H32O4
Smiles:
CC(C)=CCC(O)C(C)=CC=CC(C)=CC(C)(O)CC=CC=CC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.41 |
| AlogP: | 4.49 | Num_rotatable_bonds: | 10 |
| MolWt: | 360.49 | Num_heavy_atoms: | 26 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
