Glycoside
GD132621
Name:
5-methyl-4-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2H-chromen-2-oneFormula:
C22H28O13Smiles:
Cc1cccc2oc(=O)cc(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)c12Aglycone:
Cc1cccc2oc(=O)cc(O)c12Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.59 |
| AlogP: | -2.9 | Num_rotatable_bonds: | 6 |
| MolWt: | 500.45 | Num_heavy_atoms: | 35 |
| TPSA: | 208.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD29404
Formula: C10H8O3
Smiles:
Cc1cccc2oc(=O)cc(O)c12| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 0 |
| MolWt: | 176.17 | Num_heavy_atoms: | 13 |
| TPSA: | 50.44 | NumAromaticRings: | 2 |
