Glycoside
GD146472
Name:
5-({[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)furan-2-carbaldehydeFormula:
C18H26O13Smiles:
O=Cc1ccc(COC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)o1Aglycone:
O=Cc1ccc(CO)o1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.72 |
| AlogP: | -3.77 | Num_rotatable_bonds: | 8 |
| MolWt: | 450.39 | Num_heavy_atoms: | 31 |
| TPSA: | 208.74 | NumAromaticRings: | 1 |
Unique Aglycone
AD18447
Formula: C6H6O3
Smiles:
O=Cc1ccc(CO)o1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 0.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 50.44 | NumAromaticRings: | 1 |
