Glycoside
GD145670
Name:
2-{3-hydroxy-2-[(2-hydroxy-4-methyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl]-5-methylphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C27H36O14Smiles:
Cc1cc(O)c(Cc2c(O)cc(C)cc2OC2OC(CO)C(O)C(O)C2O)c(OC2OC(CO)C(O)C(O)C2O)c1Aglycone:
Cc1cc(O)c(Cc2c(O)cc(C)cc2O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.56 |
| AlogP: | -2.34 | Num_rotatable_bonds: | 8 |
| MolWt: | 584.57 | Num_heavy_atoms: | 41 |
| TPSA: | 239.22 | NumAromaticRings: | 2 |
Unique Aglycone
AD58450
Formula: C15H16O4
Smiles:
Cc1cc(O)c(Cc2c(O)cc(C)cc2O)c(O)c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.2 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 2 |
| MolWt: | 260.29 | Num_heavy_atoms: | 19 |
| TPSA: | 80.92 | NumAromaticRings: | 2 |
