Glycoside
GD140917
Name:
4-({4,5-dihydroxy-2-methyl-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-3-yl}oxy)-5-methyl-2H-chromen-2-oneFormula:
C22H28O12Smiles:
Cc1cccc2oc(=O)cc(OC3C(C)OC(OCC4OC(O)C(O)C(O)C4O)C(O)C3O)c12Aglycone:
Cc1cccc2oc(=O)cc(O)c12Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.59 |
| AlogP: | -1.87 | Num_rotatable_bonds: | 5 |
| MolWt: | 484.45 | Num_heavy_atoms: | 34 |
| TPSA: | 188.51 | 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 |
