Glycoside
GD140490
Name:
methyl 3-ethenyl-4-(2-{[4-(methoxycarbonyl)-7-methyl-3-oxo-octahydrocyclopenta[c]pyran-6-yl]oxy}-2-oxoethyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C28H38O15Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OC1CC2C(C(=O)OC)C(=O)OCC2C1CAglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CC(=O)OC1CC2C(C(=O)OC)C(=O)OCC2C1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | -1.45 | Num_rotatable_bonds: | 9 |
| MolWt: | 614.6 | Num_heavy_atoms: | 43 |
| TPSA: | 213.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD56647
Formula: C22H28O10
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CC(=O)OC1CC2C(C(=O)OC)C(=O)OCC2C1C| HBA: | 10 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.64 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 6 |
| MolWt: | 452.46 | Num_heavy_atoms: | 32 |
| TPSA: | 134.66 | NumAromaticRings: | 0 |
