Glycoside
GD155427
Name:
5,7-dimethoxy-2-(4-methoxyphenyl)-6-{[3,4,5-trihydroxy-6-({[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}methyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C30H38O16Smiles:
COc1ccc(C2CC(=O)c3c(cc(OC)c(OC4OC(COC5C(O)OC(CO)C(O)C5O)C(O)C(O)C4O)c3OC)O2)cc1Aglycone:
COc1ccc(C2CC(=O)c3c(cc(OC)c(O)c3OC)O2)cc1Sugarmoiety:
OCC1OC(O)C(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.57 |
| AlogP: | -1.58 | Num_rotatable_bonds: | 10 |
| MolWt: | 654.62 | Num_heavy_atoms: | 46 |
| TPSA: | 232.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD61661
Formula: C18H18O6
Smiles:
COc1ccc(C2CC(=O)c3c(cc(OC)c(O)c3OC)O2)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.28 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 330.34 | Num_heavy_atoms: | 24 |
| TPSA: | 74.22 | NumAromaticRings: | 2 |
