Glycoside
GD127242
Name:
methyl 3-ethenyl-4-[4-oxo-4-({3,4,5-trihydroxy-6-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]oxan-2-yl}methoxy)but-1-en-1-yl]-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C35H46O17Smiles:
C=CCc1ccc(OC2OC(COC(=O)CC=CC3C(C(=O)OC)=COC(OC4OC(CO)C(O)C(O)C4O)C3C=C)C(O)C(O)C2O)c(OC)c1Aglycone:
C=CC1C(O)OC=C(C(=O)OC)C1C=CCC(=O)OC.C=CCc1ccc(O)c(OC)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | -1.25 | Num_rotatable_bonds: | 15 |
| MolWt: | 738.74 | Num_heavy_atoms: | 52 |
| TPSA: | 249.59 | NumAromaticRings: | 1 |
Unique Aglycone
AD01691
Formula: C14H18O6
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1C=CCC(=O)OC| HBA: | 6 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.43 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 5 |
| MolWt: | 282.29 | Num_heavy_atoms: | 20 |
| TPSA: | 82.06 | NumAromaticRings: | 0 |
AD02253
Formula: C10H12O2
Smiles:
C=CCc1ccc(O)c(OC)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 164.2 | Num_heavy_atoms: | 12 |
| TPSA: | 29.46 | NumAromaticRings: | 1 |
