Glycoside
GD141358
Name:
2-{[2-(3,4-dihydroxyphenyl)-7-hydroxy-3,4-dihydro-2H-1-benzopyran-5-yl]oxy}oxane-3,4,5-triolFormula:
C20H22O9Smiles:
Oc1cc2c(c(OC3OCC(O)C(O)C3O)c1)CCC(c1ccc(O)c(O)c1)O2Aglycone:
Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)CC2Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.4 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 3 |
| MolWt: | 406.39 | Num_heavy_atoms: | 29 |
| TPSA: | 149.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD56954
Formula: C15H14O5
Smiles:
Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)CC2| HBA: | 5 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.2 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 274.27 | Num_heavy_atoms: | 20 |
| TPSA: | 90.15 | NumAromaticRings: | 2 |
