Glycoside
GD135675
Name:
methyl 3-ethenyl-4-hydroxy-4-(2-hydroxyethyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C17H26O11Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1(O)CCOAglycone:
C=CC1C(O)OC=C(C(=O)OC)C1(O)CCOSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.71 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 7 |
| MolWt: | 406.38 | Num_heavy_atoms: | 28 |
| TPSA: | 175.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD54861
Formula: C11H16O6
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1(O)CCO| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.55 |
| AlogP: | -0.69 | Num_rotatable_bonds: | 4 |
| MolWt: | 244.24 | Num_heavy_atoms: | 17 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
