Glycoside
GD155143
Name:
2-(4-ethyl-3-methylphenyl)-5-hydroxy-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C30H38O13Smiles:
CCc1ccc(C2CC(=O)c3c(O)cc(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)cc3O2)cc1CAglycone:
CCc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1CSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.57 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 7 |
| MolWt: | 606.62 | Num_heavy_atoms: | 43 |
| TPSA: | 204.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD61557
Formula: C18H18O4
Smiles:
CCc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1C| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.28 |
| AlogP: | 3.68 | Num_rotatable_bonds: | 2 |
| MolWt: | 298.34 | Num_heavy_atoms: | 22 |
| TPSA: | 66.76 | NumAromaticRings: | 2 |
