Glycoside
GD005895
Name:
1-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2,6,8-trihydroxy-9H-xanthen-9-oneFormula:
C25H28O16Smiles:
O=c1c2c(O)cc(O)cc2oc2ccc(O)c(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c12Aglycone:
O=c1c2c(O)cc(O)cc2oc2ccc(O)c(O)c12Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.48 |
| AlogP: | -2.93 | Num_rotatable_bonds: | 6 |
| MolWt: | 584.48 | Num_heavy_atoms: | 41 |
| TPSA: | 269.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD04939
Formula: C13H8O6
Smiles:
O=c1c2c(O)cc(O)cc2oc2ccc(O)c(O)c12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 0 |
| MolWt: | 260.2 | Num_heavy_atoms: | 19 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
