Glycoside
GD128539
Name:
(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 4-hydroxybenzoateFormula:
C20H22O10Smiles:
O=C(OCc1ccc(OC2OC(CO)C(O)C(O)C2O)c(O)c1)c1ccc(O)cc1Aglycone:
O=C(OCc1ccc(O)c(O)c1)c1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 6 |
| MolWt: | 422.39 | Num_heavy_atoms: | 30 |
| TPSA: | 166.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD52065
Formula: C14H12O5
Smiles:
O=C(OCc1ccc(O)c(O)c1)c1ccc(O)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 260.25 | Num_heavy_atoms: | 19 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
