Glycoside
GD136838
Name:
4,5,6-trihydroxy-2-[(3-hydroxy-5-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methylidene]-7-methoxy-2,3-dihydro-1-benzofuran-3-oneFormula:
C23H24O14Smiles:
COc1cc(C=C2Oc3c(OC)c(O)c(O)c(O)c3C2=O)cc(O)c1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(C=C2Oc3c(OC)c(O)c(O)c(O)c3C2=O)cc(O)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.35 |
| AlogP: | -0.68 | Num_rotatable_bonds: | 6 |
| MolWt: | 524.43 | Num_heavy_atoms: | 37 |
| TPSA: | 225.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD55311
Formula: C17H14O9
Smiles:
COc1cc(C=C2Oc3c(OC)c(O)c(O)c(O)c3C2=O)cc(O)c1O| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.12 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 3 |
| MolWt: | 362.29 | Num_heavy_atoms: | 26 |
| TPSA: | 145.91 | NumAromaticRings: | 2 |
