Glycoside
GD146602
Name:
2-(2-hydroxypropan-2-yl)-4-methoxy-7-{[(2,3,4,5,6-pentahydroxyhexyl)peroxy]methyl}-2H,3H,5H-furo[3,2-g]chromen-5-oneFormula:
C22H30O12Smiles:
COc1c2c(cc3oc(COOCC(O)C(O)C(O)C(O)CO)cc(=O)c13)OC(C(C)(C)O)C2Aglycone:
COc1c2c(cc3oc(CO)cc(=O)c13)OC(C(C)(C)O)C2Sugarmoiety:
OCC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.59 |
| AlogP: | -1.24 | Num_rotatable_bonds: | 11 |
| MolWt: | 486.47 | Num_heavy_atoms: | 34 |
| TPSA: | 188.51 | NumAromaticRings: | 2 |
Unique Aglycone
AD12842
Formula: C16H18O6
Smiles:
COc1c2c(cc3oc(CO)cc(=O)c13)OC(C(C)(C)O)C2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 3 |
| MolWt: | 306.31 | Num_heavy_atoms: | 22 |
| TPSA: | 89.13 | NumAromaticRings: | 2 |
