Glycoside
GD000902
Name:
NoneFormula:
C24H28O7NClSmiles:
CCOc1ccc(Cc2cc([C@@H]3O[C@H](C=NOCCO)[C@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1Aglycone:
C=NOCCO.CCOc1ccc(Cc2ccccc2Cl)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 9 |
| MolWt: | 465.93 | Num_heavy_atoms: | 32 |
| TPSA: | 120.97 | NumAromaticRings: | 2 |
Unique Aglycone
AD00288
Formula: C16H15OCl
Smiles:
CCOc1ccc(Cc2ccccc2Cl)cc1| HBA: | 1 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | 4.33 | Num_rotatable_bonds: | 4 |
| MolWt: | 246.74 | Num_heavy_atoms: | 17 |
| TPSA: | 9.23 | NumAromaticRings: | 2 |
AD00946
Formula: C3H7O2N
Smiles:
C=NOCCO| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.39 | Num_rotatable_bonds: | 3 |
| MolWt: | 89.09 | Num_heavy_atoms: | 6 |
| TPSA: | 41.82 | NumAromaticRings: | 0 |
