Glycoside
GD154282
Name:
3-(methoxycarbonyl)-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-6-yl 3-ethenyl-4-(2-hydroxyethyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C33H48O19Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC2CC3C=C(C(=O)OC)OC(OC4OC(CO)C(O)C(O)C4O)C3C2C)C1CCOAglycone:
C=CC1C(O)OC=C(C(=O)OC2CC3C=C(C(=O)OC)OC(O)C3C2C)C1CCOSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.76 |
| AlogP: | -3.74 | Num_rotatable_bonds: | 12 |
| MolWt: | 748.73 | Num_heavy_atoms: | 52 |
| TPSA: | 290.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD61298
Formula: C21H28O9
Smiles:
C=CC1C(O)OC=C(C(=O)OC2CC3C=C(C(=O)OC)OC(O)C3C2C)C1CCO| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.62 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 6 |
| MolWt: | 424.45 | Num_heavy_atoms: | 30 |
| TPSA: | 131.75 | NumAromaticRings: | 0 |
