Glycoside
GD137492
Name:
methyl 3-ethylidene-2-({6-[({2-[3-ethylidene-5-(methoxycarbonyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl]acetyl}oxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-4-{2-[(6-hydroxy-2,6-dimethylocta-2,7-dien-1-yl)oxy]-2-oxoethyl}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C44H62O22Smiles:
C=CC(C)(O)CCC=C(C)COC(=O)CC1C(C(=O)OC)=COC(OC2OC(COC(=O)CC3C(C(=O)OC)=COC(OC4OC(CO)C(O)C(O)C4O)C3=CC)C(O)C(O)C2O)C1=CCAglycone:
C=CC(C)(O)CCC=C(C)COC(=O)CC1C(C(=O)OC)=COC(O)C1=CC.CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OCSugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.64 |
| AlogP: | -0.89 | Num_rotatable_bonds: | 19 |
| MolWt: | 942.96 | Num_heavy_atoms: | 66 |
| TPSA: | 322.42 | NumAromaticRings: | 0 |
Unique Aglycone
AD02763
Formula: C12H16O6
Smiles:
CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OC| HBA: | 6 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 3 |
| MolWt: | 256.25 | Num_heavy_atoms: | 18 |
| TPSA: | 82.06 | NumAromaticRings: | 0 |
AD55544
Formula: C21H30O7
Smiles:
C=CC(C)(O)CCC=C(C)COC(=O)CC1C(C(=O)OC)=COC(O)C1=CC| HBA: | 7 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.52 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 9 |
| MolWt: | 394.46 | Num_heavy_atoms: | 28 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
