Glycoside
GD117162
Name:
methyl 3,4,5-trihydroxy-6-[2-(5-hydroxy-7,8-dimethoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)-3-methoxyphenoxy]oxane-2-carboxylateFormula:
C25H28O13Smiles:
COC(=O)C1OC(Oc2cccc(OC)c2C2CC(=O)c3c(O)cc(OC)c(OC)c3O2)C(O)C(O)C1OAglycone:
COc1cc(O)c2c(c1OC)OC(c1c(O)cccc1OC)CC2=OSugarmoiety:
COC(=O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 7 |
| MolWt: | 536.49 | Num_heavy_atoms: | 38 |
| TPSA: | 179.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD46669
Formula: C18H18O7
Smiles:
COc1cc(O)c2c(c1OC)OC(c1c(O)cccc1OC)CC2=O| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.28 |
| AlogP: | 2.83 | Num_rotatable_bonds: | 4 |
| MolWt: | 346.34 | Num_heavy_atoms: | 25 |
| TPSA: | 94.45 | NumAromaticRings: | 2 |
