Glycoside
GD130829
Name:
Galtonioside AFormula:
C48H72O19Smiles:
COc1cc(C(=O)OC2CC(O)C3(CO)C(CCC4C5CC6OC(C=C(C)C)C(OC7OC(CO)C(OC8OCC(O)C(O)C8O)C(O)C7O)C(C)C6C5(C)CC(O)C43)C2)cc(OC)c1OCAglycone:
COc1cc(C(=O)OC2CC(O)C3(CO)C(CCC4C5CC6OC(C=C(C)C)C(O)C(C)C6C5(C)CC(O)C43)C2)cc(OC)c1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OC1OCC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.81 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 12 |
| MolWt: | 953.09 | Num_heavy_atoms: | 67 |
| TPSA: | 282.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD53008
Formula: C37H54O10
Smiles:
COc1cc(C(=O)OC2CC(O)C3(CO)C(CCC4C5CC6OC(C=C(C)C)C(O)C(C)C6C5(C)CC(O)C43)C2)cc(OC)c1OC| HBA: | 10 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.76 |
| AlogP: | 4.15 | Num_rotatable_bonds: | 7 |
| MolWt: | 658.83 | Num_heavy_atoms: | 47 |
| TPSA: | 144.14 | NumAromaticRings: | 1 |
