Glycoside
GD145730
Name:
2-(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}phenyl)-6-hydroxy-8-methoxy-4-oxo-4H-chromen-5-yl 3-phenylprop-2-enoateFormula:
C37H38O17Smiles:
COc1cc(O)c(OC(=O)C=Cc2ccccc2)c2c(=O)cc(-c3cccc(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)c3)oc12Aglycone:
COc1cc(O)c(OC(=O)C=Cc2ccccc2)c2c(=O)cc(-c3cccc(O)c3)oc12Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.35 |
| AlogP: | -0.2 | Num_rotatable_bonds: | 11 |
| MolWt: | 754.69 | Num_heavy_atoms: | 54 |
| TPSA: | 264.5 | NumAromaticRings: | 4 |
Unique Aglycone
AD58475
Formula: C25H18O7
Smiles:
COc1cc(O)c(OC(=O)C=Cc2ccccc2)c2c(=O)cc(-c3cccc(O)c3)oc12| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.04 |
| AlogP: | 4.5 | Num_rotatable_bonds: | 5 |
| MolWt: | 430.41 | Num_heavy_atoms: | 32 |
| TPSA: | 106.2 | NumAromaticRings: | 4 |
