Glycoside
GD143494
Name:
2-(3,4-dihydroxyphenyl)-5-({3-[(1,2,3,4,5,6-hexahydroxyhexyl)oxy]-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-7-hydroxy-4H-chromen-4-oneFormula:
C27H32O18Smiles:
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(OC3(O)OC(CO)C(O)C(O)C3OC(O)C(O)C(O)C(O)C(O)CO)c12Aglycone:
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12Sugarmoiety:
OCC(O)C(O)C(O)C(O)C(O)OC1C(O)C(O)C(CO)OC1(O)OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 13 | FractionCSP3: | 0.44 |
| AlogP: | -4.15 | Num_rotatable_bonds: | 11 |
| MolWt: | 644.54 | Num_heavy_atoms: | 45 |
| TPSA: | 320.89 | NumAromaticRings: | 3 |
Unique Aglycone
AD00567
Formula: C15H10O6
Smiles:
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(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 |
