Glycoside
GD129678
Name:
(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoateFormula:
C26H32O16Smiles:
O=C(OCc1ccc(OC2OC(CO)C(O)C(O)C2O)c(O)c1)c1ccc(O)c(OC2OC(CO)C(O)C(O)C2O)c1Aglycone:
O=C(OCc1ccc(O)c(O)c1)c1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.5 |
| AlogP: | -3.19 | Num_rotatable_bonds: | 9 |
| MolWt: | 600.53 | Num_heavy_atoms: | 42 |
| TPSA: | 265.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD52534
Formula: C14H12O6
Smiles:
O=C(OCc1ccc(O)c(O)c1)c1ccc(O)c(O)c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.07 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 3 |
| MolWt: | 276.24 | Num_heavy_atoms: | 20 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
