Glycoside
GD142704
Name:
3-({3-[(1,2,3,4,5,6-hexahydroxyhexyl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C27H34O17Smiles:
O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1OC1OC(CO)C(O)C(O)C1OC(O)C(O)C(O)C(O)C(O)COAglycone:
O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1OSugarmoiety:
OCC(O)C(O)C(O)C(O)C(O)OC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 12 | FractionCSP3: | 0.52 |
| AlogP: | -3.92 | Num_rotatable_bonds: | 11 |
| MolWt: | 630.55 | Num_heavy_atoms: | 44 |
| TPSA: | 296.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD04886
Formula: C15H12O6
Smiles:
O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 1 |
| MolWt: | 288.25 | Num_heavy_atoms: | 21 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
