Glycoside
GD030058
Name:
3-(acetyloxy)-2-[(6-{[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-5-hydroxy-6-methyloxan-4-yl acetateFormula:
C31H34O17Smiles:
CC(=O)O[C@@H]1[C@@H](OC[C@@H]2O[C@H](Oc3cc4oc(-c5ccc(O)cc5)cc(=O)c4c(O)c3O)[C@H](O)[C@H](O)[C@H]2O)O[C@@H](C)[C@@H](O)[C@H]1OC(C)=OAglycone:
O=c1cc(-c2ccc(O)cc2)oc2cc(O)c(O)c(O)c12Sugarmoiety:
CC(=O)OC1C(OCC2OC(O)C(O)C(O)C2O)OC(C)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.45 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 8 |
| MolWt: | 678.6 | Num_heavy_atoms: | 48 |
| TPSA: | 261.34 | NumAromaticRings: | 3 |
Unique Aglycone
AD00690
Formula: C15H10O6
Smiles:
O=c1cc(-c2ccc(O)cc2)oc2cc(O)c(O)c(O)c12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
