Glycoside
GD140014
Name:
2-(4-ethoxyphenyl)-7-methoxy-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C30H38O15Smiles:
CCOc1ccc(C2CC(=O)c3c(cc(OC)cc3OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)O2)cc1Aglycone:
CCOc1ccc(C2CC(=O)c3c(O)cc(OC)cc3O2)cc1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.57 |
| AlogP: | -1.2 | Num_rotatable_bonds: | 10 |
| MolWt: | 638.62 | Num_heavy_atoms: | 45 |
| TPSA: | 223.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD56452
Formula: C18H18O5
Smiles:
CCOc1ccc(C2CC(=O)c3c(O)cc(OC)cc3O2)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.28 |
| AlogP: | 3.51 | Num_rotatable_bonds: | 4 |
| MolWt: | 314.34 | Num_heavy_atoms: | 23 |
| TPSA: | 64.99 | NumAromaticRings: | 2 |
