Glycoside
GD017108
Name:
7-methoxy-2-(4-methoxyphenyl)-5-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4H-chromen-4-oneFormula:
C28H32O14Smiles:
COc1ccc(-c2cc(=O)c3c(O[C@@H]4O[C@H](CO[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O)cc(OC)cc3o2)cc1Aglycone:
COc1ccc(-c2cc(=O)c3c(O)cc(OC)cc3o2)cc1Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | -0.88 | Num_rotatable_bonds: | 8 |
| MolWt: | 592.55 | Num_heavy_atoms: | 42 |
| TPSA: | 206.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD12255
Formula: C17H14O5
Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(OC)cc3o2)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 3.18 | Num_rotatable_bonds: | 3 |
| MolWt: | 298.29 | Num_heavy_atoms: | 22 |
| TPSA: | 68.9 | NumAromaticRings: | 3 |
