Glycoside
GD130289
Name:
5,7-dihydroxy-2-{3-hydroxy-4-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]phenyl}-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-oneFormula:
C27H30O16Smiles:
O=c1cc(-c2ccc(OCC3OC(O)C(O)C(O)C3O)c(O)c2)oc2cc(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12Aglycone:
COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.44 |
| AlogP: | -2.73 | Num_rotatable_bonds: | 6 |
| MolWt: | 610.52 | Num_heavy_atoms: | 43 |
| TPSA: | 280.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD04393
Formula: C16H12O6
Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
