Glycoside
GD122160
Name:
methyl 3-ethenyl-4-(2-{[3-hydroxy-4-(methoxycarbonyl)-7-methyl-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:
C28H40O15Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OC1CC2C(COC(O)C2C(=O)OC)C1CAglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CC(=O)OC1CC2C(COC(O)C2C(=O)OC)C1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.75 |
| AlogP: | -1.65 | Num_rotatable_bonds: | 9 |
| MolWt: | 616.61 | Num_heavy_atoms: | 43 |
| TPSA: | 216.97 | NumAromaticRings: | 0 |
Unique Aglycone
AD49209
Formula: C22H30O10
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CC(=O)OC1CC2C(COC(O)C2C(=O)OC)C1C| HBA: | 10 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.68 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 6 |
| MolWt: | 454.47 | Num_heavy_atoms: | 32 |
| TPSA: | 137.82 | NumAromaticRings: | 0 |
