Glycoside
GD104474
Name:
NoneFormula:
C25H30O4N3FClSmiles:
O=C(C[C@@H]1O[C@H](C[NH2+]Cc2cccc(Cl)c2)[C@@H](O)[C@H]1O)N1CCN(c2ccc(F)cc2)CC1Aglycone:
CC(=O)N1CCN(c2ccc(F)cc2)CC1.C[NH2+]Cc1cccc(Cl)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.46 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 7 |
| MolWt: | 478.97 | Num_heavy_atoms: | 33 |
| TPSA: | 89.85 | NumAromaticRings: | 2 |
Unique Aglycone
AD21326
Formula: C12H15ON2F
Smiles:
CC(=O)N1CCN(c2ccc(F)cc2)CC1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.42 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 1 |
| MolWt: | 222.26 | Num_heavy_atoms: | 16 |
| TPSA: | 23.55 | NumAromaticRings: | 1 |
AD36253
Formula: C9H11NCl
Smiles:
C[NH2+]Cc1cccc(Cl)c1| HBA: | 1 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 2 |
| MolWt: | 156.64 | Num_heavy_atoms: | 10 |
| TPSA: | 16.61 | NumAromaticRings: | 1 |
