Glycoside
GD135663
Name:
methyl 3-[2-(acetyloxy)ethylidene]-2-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C33H44O20Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(=CCOC(C)=O)C1CC(=O)OCCc1ccc(O)c(O)c1Aglycone:
COC(=O)C1=COC(O)C(=CCOC(C)=O)C1CC(=O)OCCc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.61 |
| AlogP: | -3.27 | Num_rotatable_bonds: | 14 |
| MolWt: | 760.7 | Num_heavy_atoms: | 53 |
| TPSA: | 307.12 | NumAromaticRings: | 1 |
Unique Aglycone
AD54857
Formula: C21H24O10
Smiles:
COC(=O)C1=COC(O)C(=CCOC(C)=O)C1CC(=O)OCCc1ccc(O)c(O)c1| HBA: | 10 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 8 |
| MolWt: | 436.41 | Num_heavy_atoms: | 31 |
| TPSA: | 148.82 | NumAromaticRings: | 1 |
