Glycoside
GD124585
Name:
(3,5-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 3,4,5-trihydroxybenzoateFormula:
C20H22O13Smiles:
O=C(OCc1cc(O)c(OC2OC(CO)C(O)C(O)C2O)c(O)c1)c1cc(O)c(O)c(O)c1Aglycone:
O=C(OCc1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.35 |
| AlogP: | -1.25 | Num_rotatable_bonds: | 6 |
| MolWt: | 470.38 | Num_heavy_atoms: | 33 |
| TPSA: | 226.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD50341
Formula: C14H12O8
Smiles:
O=C(OCc1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1| HBA: | 8 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.07 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 308.24 | Num_heavy_atoms: | 22 |
| TPSA: | 147.68 | NumAromaticRings: | 2 |
