Glycoside
GD139190
Name:
methyl 3-ethylidene-4-{2-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-oxoethyl}-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C26H34O13Smiles:
CC=C1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCCc1ccc(OC)c(O)c1Aglycone:
CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OCCc1ccc(OC)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 10 |
| MolWt: | 554.55 | Num_heavy_atoms: | 39 |
| TPSA: | 190.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD56121
Formula: C20H24O8
Smiles:
CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OCCc1ccc(OC)c(O)c1| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 7 |
| MolWt: | 392.4 | Num_heavy_atoms: | 28 |
| TPSA: | 111.52 | NumAromaticRings: | 1 |
