Glycoside
GD135243
Name:
3-({6-[(deca-2,4-dienoyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-6-[2,4-dihydroxy-6-(2-hydroxyethyl)phenyl]-5-hydroxy-2-(2-hydroxyethyl)oxan-4-yl 7-hydroxydodeca-2,4,8,10-tetraenoateFormula:
C43H60O16Smiles:
CC=CC=CC(O)CC=CC=CC(=O)OC1C(O)C(c2c(O)cc(O)cc2CCO)OC(CCO)C1OC1OC(COC(=O)C=CC=CCCCCC)C(O)C(O)C1OAglycone:
CC=CC=CC(O)CC=CC=CC(=O)O.CCCCCC=CC=CC(=O)OC.OCCc1cc(O)cc(O)c1Sugarmoiety:
OCCC1OC(O)C(O)C(O)C1OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.53 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 22 |
| MolWt: | 832.94 | Num_heavy_atoms: | 59 |
| TPSA: | 262.36 | NumAromaticRings: | 1 |
Unique Aglycone
AD10019
Formula: C11H18O2
Smiles:
CCCCCC=CC=CC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.55 |
| AlogP: | 2.85 | Num_rotatable_bonds: | 6 |
| MolWt: | 182.26 | Num_heavy_atoms: | 13 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD21287
Formula: C8H10O3
Smiles:
OCCc1cc(O)cc(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 2 |
| MolWt: | 154.16 | Num_heavy_atoms: | 11 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
AD54691
Formula: C12H16O3
Smiles:
CC=CC=CC(O)CC=CC=CC(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 6 |
| MolWt: | 208.26 | Num_heavy_atoms: | 15 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
