Glycoside
GD143338
Name:
7-(4-{[6,6'-bis(hydroxymethyl)-[2,2'-bioxane]-3,3',4,4',5,5'-hexyl]oxy}phenyl)-9-methoxy-2H,8H-[1,3]dioxolo[4,5-g]chromen-8-oneFormula:
C29H32O16Smiles:
COc1c2c(cc3occ(-c4ccc(OC5(C6OC(CO)C(O)C(O)C6O)OC(CO)C(O)C(O)C5O)cc4)c(=O)c13)OCO2Aglycone:
COc1c2c(cc3occ(-c4ccc(O)cc4)c(=O)c13)OCO2Sugarmoiety:
OCC1OC(C2(O)OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.48 |
| AlogP: | -2.41 | Num_rotatable_bonds: | 7 |
| MolWt: | 636.56 | Num_heavy_atoms: | 45 |
| TPSA: | 247.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD22013
Formula: C17H12O6
Smiles:
COc1c2c(cc3occ(-c4ccc(O)cc4)c(=O)c13)OCO2| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 2.9 | Num_rotatable_bonds: | 2 |
| MolWt: | 312.28 | Num_heavy_atoms: | 23 |
| TPSA: | 78.13 | NumAromaticRings: | 3 |
