Glycoside
GD129725
Name:
1-[3,5-dihydroxy-9-(4-hydroxy-3-methoxyphenyl)-11-methyl-12-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,10-dioxatricyclo[7.2.1.0²,â·]dodeca-2,4,6-trien-11-yl]ethan-1-oneFormula:
C26H30O13Smiles:
COc1cc(C23Oc4cc(O)cc(O)c4C(C2OC2OC(CO)C(O)C(O)C2O)C(C)(C(C)=O)O3)ccc1OAglycone:
COc1cc(C23Oc4cc(O)cc(O)c4C(C2O)C(C)(C(C)=O)O3)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 6 |
| MolWt: | 550.51 | Num_heavy_atoms: | 39 |
| TPSA: | 204.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD52554
Formula: C20H20O8
Smiles:
COc1cc(C23Oc4cc(O)cc(O)c4C(C2O)C(C)(C(C)=O)O3)ccc1O| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 3 |
| MolWt: | 388.37 | Num_heavy_atoms: | 28 |
| TPSA: | 125.68 | NumAromaticRings: | 2 |
