Glycoside
GD127314
Name:
methyl 2-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-ethylidene-4-{2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C31H42O17Smiles:
CC=C1C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)OC=C(C(=O)OC)C1CC(=O)OCCc1ccc(O)cc1Aglycone:
CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OCCc1ccc(O)cc1Sugarmoiety:
OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.61 |
| AlogP: | -2.52 | Num_rotatable_bonds: | 12 |
| MolWt: | 686.66 | Num_heavy_atoms: | 48 |
| TPSA: | 260.59 | NumAromaticRings: | 1 |
Unique Aglycone
AD04764
Formula: C19H22O7
Smiles:
CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OCCc1ccc(O)cc1| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.37 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 6 |
| MolWt: | 362.38 | Num_heavy_atoms: | 26 |
| TPSA: | 102.29 | NumAromaticRings: | 1 |
