Glycoside
GD018124
Name:
2-(2-hydroxypropan-2-yl)-4-methoxy-7-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2H,3H,5H-furo[3,2-g]chromen-5-oneFormula:
C22H28O11Smiles:
COc1c2c(cc3oc(CO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc(=O)c13)O[C@H](C(C)(C)O)C2Aglycone:
COc1c2c(cc3oc(CO)cc(=O)c13)OC(C(C)(C)O)C2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | -0.81 | Num_rotatable_bonds: | 6 |
| MolWt: | 468.46 | Num_heavy_atoms: | 33 |
| TPSA: | 168.28 | 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 |
