Glycoside
GD019892
Name:
2-[2-(5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)-4-hydroxyphenoxy]-5-hydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl acetateFormula:
C29H34O16Smiles:
CC(=O)O[C@@H]1[C@H](Oc2ccc(O)cc2[C@@H]2CC(=O)c3c(O)cc(O)cc3O2)O[C@H](C)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=C1CC(c2cc(O)ccc2O)Oc2cc(O)cc(O)c21Sugarmoiety:
CC(=O)OC1C(O)OC(C)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.52 |
| AlogP: | -0.89 | Num_rotatable_bonds: | 7 |
| MolWt: | 638.58 | Num_heavy_atoms: | 45 |
| TPSA: | 251.36 | NumAromaticRings: | 2 |
Unique Aglycone
AD08896
Formula: C15H12O6
Smiles:
O=C1CC(c2cc(O)ccc2O)Oc2cc(O)cc(O)c21| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 288.26 | Num_heavy_atoms: | 21 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
