Glycoside
GD115597
Name:
Saffloquinoside AFormula:
C27H30O15Smiles:
O=C1C2=C(OC3(C2)OCC(O)C(O)C3O)C(O)(C2OC(CO)C(O)C(O)C2O)C(=O)C1=C(O)C=Cc1ccc(O)cc1Aglycone:
O=C1C2=C(OC3(C2)OCC(O)C(O)C3O)C(O)C(=O)C1=C(O)C=Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.48 |
| AlogP: | -3.57 | Num_rotatable_bonds: | 4 |
| MolWt: | 594.52 | Num_heavy_atoms: | 42 |
| TPSA: | 264.13 | NumAromaticRings: | 1 |
Unique Aglycone
AD45756
Formula: C21H20O10
Smiles:
O=C1C2=C(OC3(C2)OCC(O)C(O)C3O)C(O)C(=O)C1=C(O)C=Cc1ccc(O)cc1| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | -0.79 | Num_rotatable_bonds: | 2 |
| MolWt: | 432.38 | Num_heavy_atoms: | 31 |
| TPSA: | 173.98 | NumAromaticRings: | 1 |
