Glycoside
GD107045
Name:
3-[3-(hydroxymethyl)-7-methoxy-2-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoic acidFormula:
C26H30O12Smiles:
COc1cc([C@@H]2Oc3c(OC)cc(/C=C/C(=O)O)cc3[C@H]2CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OAglycone:
COc1cc(C2Oc3c(OC)cc(C=CC(=O)O)cc3C2CO)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | 0.19 | Num_rotatable_bonds: | 9 |
| MolWt: | 534.51 | Num_heavy_atoms: | 38 |
| TPSA: | 184.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD44266
Formula: C20H20O7
Smiles:
COc1cc(C2Oc3c(OC)cc(C=CC(=O)O)cc3C2CO)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 6 |
| MolWt: | 372.37 | Num_heavy_atoms: | 27 |
| TPSA: | 105.45 | NumAromaticRings: | 2 |
