Glycoside
GD112536
Name:
NoneFormula:
C36H40O6NSmiles:
C[N+](C)(C)[C@H]1[C@@H](OC(=O)c2ccccc2)O[C@H](COCC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O)[C@@H]1OAglycone:
COCC(c1ccccc1)(c1ccccc1)c1ccccc1.O=C(O)c1ccccc1Sugarmoiety:
C[N+](C)(C)C1C(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 4.42 | Num_rotatable_bonds: | 10 |
| MolWt: | 582.72 | Num_heavy_atoms: | 43 |
| TPSA: | 85.22 | NumAromaticRings: | 4 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD44774
Formula: C21H20O
Smiles:
COCC(c1ccccc1)(c1ccccc1)c1ccccc1| HBA: | 1 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 4.67 | Num_rotatable_bonds: | 5 |
| MolWt: | 288.39 | Num_heavy_atoms: | 22 |
| TPSA: | 9.23 | NumAromaticRings: | 3 |
