Glycoside
GD145301
Name:
methyl 4-(2-{2-[3-ethenyl-5-(methoxycarbonyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl]ethoxy}-2-oxoethyl)-3-(2-hydroxyethylidene)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C34H48O21Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)CC1C(C(=O)OC)=COC(OC2OC(CO)C(O)C(O)C2O)C1=CCOAglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CCOC(=O)CC1C(C(=O)OC)=COC(O)C1=CCOSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.68 |
| AlogP: | -4.28 | Num_rotatable_bonds: | 15 |
| MolWt: | 792.74 | Num_heavy_atoms: | 55 |
| TPSA: | 316.35 | NumAromaticRings: | 0 |
Unique Aglycone
AD58337
Formula: C22H28O11
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CCOC(=O)CC1C(C(=O)OC)=COC(O)C1=CCO| HBA: | 11 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 9 |
| MolWt: | 468.46 | Num_heavy_atoms: | 33 |
| TPSA: | 158.05 | NumAromaticRings: | 0 |
