Glycoside
GD145428
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 3-(4-{[3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}phenyl)prop-2-enoateFormula:
C31H28O14Smiles:
COc1cc(-c2oc3cc(Oc4ccc(C=CC(=O)OC5OC(CO)C(O)C(O)C5O)cc4)cc(O)c3c(=O)c2O)ccc1OAglycone:
COc1cc(-c2oc3cc(Oc4ccc(C=CC(=O)O)cc4)cc(O)c3c(=O)c2O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.23 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 8 |
| MolWt: | 624.55 | Num_heavy_atoms: | 45 |
| TPSA: | 225.81 | NumAromaticRings: | 4 |
Unique Aglycone
AD58375
Formula: C25H18O9
Smiles:
COc1cc(-c2oc3cc(Oc4ccc(C=CC(=O)O)cc4)cc(O)c3c(=O)c2O)ccc1O| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.04 |
| AlogP: | 4.48 | Num_rotatable_bonds: | 6 |
| MolWt: | 462.41 | Num_heavy_atoms: | 34 |
| TPSA: | 146.66 | NumAromaticRings: | 4 |
