Glycoside
GD152978
Name:
9-(3-hydroxy-3-methyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butoxy)-4-methoxy-2H,3H,7H-furo[3,2-g]chromen-7-oneFormula:
C23H30O12Smiles:
COc1c2c(c(OCC(OC3OC(CO)C(O)C(O)C3O)C(C)(C)O)c3oc(=O)ccc13)OCC2Aglycone:
COc1c2c(c(OCC(O)C(C)(C)O)c3oc(=O)ccc13)OCC2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 8 |
| MolWt: | 498.48 | Num_heavy_atoms: | 35 |
| TPSA: | 177.51 | NumAromaticRings: | 2 |
Unique Aglycone
AD59037
Formula: C17H20O7
Smiles:
COc1c2c(c(OCC(O)C(C)(C)O)c3oc(=O)ccc13)OCC2| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.47 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 5 |
| MolWt: | 336.34 | Num_heavy_atoms: | 24 |
| TPSA: | 98.36 | NumAromaticRings: | 2 |
