Glycoside
GD151759
Name:
2-{4-[2-(3-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5-hydroxyphenyl)ethenyl]-3-hydroxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C31H40O18Smiles:
OCC1OC(Oc2ccc(C=Cc3cc(O)cc(OC4OC(COC5OCC(O)(CO)C5O)C(O)C(O)C4O)c3)c(O)c2)C(O)C(O)C1OAglycone:
Oc1cc(O)cc(C=Cc2ccc(O)cc2O)c1Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.55 |
| AlogP: | -3.91 | Num_rotatable_bonds: | 11 |
| MolWt: | 700.64 | Num_heavy_atoms: | 49 |
| TPSA: | 298.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD03582
Formula: C14H12O4
Smiles:
Oc1cc(O)cc(C=Cc2ccc(O)cc2O)c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.68 | Num_rotatable_bonds: | 2 |
| MolWt: | 244.25 | Num_heavy_atoms: | 18 |
| TPSA: | 80.92 | NumAromaticRings: | 2 |
