Glycoside
GD127875
Name:
methyl 6-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-5-ethylidene-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-1-ene-1-carboxylateFormula:
C26H34O12Smiles:
CC=C1C(OC2OC(CO)C(O)C(O)C2O)CC=C(C(=O)OC)C1CC(=O)OCCc1ccc(O)c(O)c1Aglycone:
CC=C1C(O)CC=C(C(=O)OC)C1CC(=O)OCCc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 9 |
| MolWt: | 538.55 | Num_heavy_atoms: | 38 |
| TPSA: | 192.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD51794
Formula: C20H24O7
Smiles:
CC=C1C(O)CC=C(C(=O)OC)C1CC(=O)OCCc1ccc(O)c(O)c1| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 6 |
| MolWt: | 376.41 | Num_heavy_atoms: | 27 |
| TPSA: | 113.29 | NumAromaticRings: | 1 |
