Glycoside
GD127510
Name:
methyl 5-hydroxy-7-({[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C26H30O13Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(COC(=O)C=Cc3ccc(O)cc3)=CC(O)C12Aglycone:
COC(=O)C1=COC(O)C2C(COC(=O)C=Cc3ccc(O)cc3)=CC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | -1.29 | Num_rotatable_bonds: | 8 |
| MolWt: | 550.51 | Num_heavy_atoms: | 39 |
| TPSA: | 201.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD51637
Formula: C20H20O8
Smiles:
COC(=O)C1=COC(O)C2C(COC(=O)C=Cc3ccc(O)cc3)=CC(O)C12| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 5 |
| MolWt: | 388.37 | Num_heavy_atoms: | 28 |
| TPSA: | 122.52 | NumAromaticRings: | 1 |
