Glycoside
GD033215
Name:
3,4,5-trihydroxy-6-{4-[7-(4-hydroxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dien-1-yl]-2-methoxyphenoxy}oxane-2-carboxylic acidFormula:
C27H28O12Smiles:
COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1OAglycone:
COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 11 |
| MolWt: | 544.51 | Num_heavy_atoms: | 39 |
| TPSA: | 189.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD17567
Formula: C21H20O6
Smiles:
COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 3.37 | Num_rotatable_bonds: | 8 |
| MolWt: | 368.39 | Num_heavy_atoms: | 27 |
| TPSA: | 93.06 | NumAromaticRings: | 2 |
