Glycoside
GD026409
Name:
5,7-dihydroxy-3-methoxy-6-methyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-4-oneFormula:
C29H34O17Smiles:
COc1c(-c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)oc2c(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(O)c(C)c(O)c2c1=OAglycone:
COc1c(-c2ccc(O)cc2)oc2c(O)c(O)c(C)c(O)c2c1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.48 |
| AlogP: | -2.45 | Num_rotatable_bonds: | 8 |
| MolWt: | 654.57 | Num_heavy_atoms: | 46 |
| TPSA: | 278.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD16005
Formula: C17H14O7
Smiles:
COc1c(-c2ccc(O)cc2)oc2c(O)c(O)c(C)c(O)c2c1=O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.12 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 330.29 | Num_heavy_atoms: | 24 |
| TPSA: | 120.36 | NumAromaticRings: | 3 |
