Glycoside
GD086066
Name:
NoneFormula:
C22H28O4N2FSmiles:
CN(Cc1ccccc1)C(=O)C[C@@H]1O[C@H](C[NH2+]Cc2ccc(F)cc2)[C@@H](O)[C@H]1OAglycone:
CC(=O)N(C)Cc1ccccc1.C[NH2+]Cc1ccc(F)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 8 |
| MolWt: | 403.47 | Num_heavy_atoms: | 29 |
| TPSA: | 86.61 | NumAromaticRings: | 2 |
Unique Aglycone
AD19490
Formula: C10H13ON
Smiles:
CC(=O)N(C)Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.3 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 2 |
| MolWt: | 163.22 | Num_heavy_atoms: | 12 |
| TPSA: | 20.31 | NumAromaticRings: | 1 |
AD30287
Formula: C8H11NF
Smiles:
C[NH2+]Cc1ccc(F)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 2 |
| MolWt: | 140.18 | Num_heavy_atoms: | 10 |
| TPSA: | 16.61 | NumAromaticRings: | 1 |
