Glycoside
GD104599
Name:
NoneFormula:
C26H30O9Smiles:
OC[C@H]1O[C@@H](O[C@H]2[C@@H]3O[C@@H]3[C@@H]3OC[C@H]2O3)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OAglycone:
OC1C2COC(O2)C2OC12.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.54 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 9 |
| MolWt: | 486.52 | Num_heavy_atoms: | 35 |
| TPSA: | 108.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD44002
Formula: C6H8O4
Smiles:
OC1C2COC(O2)C2OC12| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 0 |
| MolWt: | 144.13 | Num_heavy_atoms: | 10 |
| TPSA: | 51.22 | NumAromaticRings: | 0 |
