Glycoside
GD092672
Name:
NoneFormula:
C23H32O5N3FSmiles:
O=C(NC[C@H]1O[C@@H](CC(=O)N2CCN(c3ccc(F)cc3)CC2)[C@H](O)[C@@H]1O)C1CCCC1Aglycone:
CC(=O)N1CCN(c2ccc(F)cc2)CC1.CNC(=O)C1CCCC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.65 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 6 |
| MolWt: | 449.52 | Num_heavy_atoms: | 32 |
| TPSA: | 102.34 | NumAromaticRings: | 1 |
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 |
AD29399
Formula: C7H13ON
Smiles:
CNC(=O)C1CCCC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 1 |
| MolWt: | 127.19 | Num_heavy_atoms: | 9 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
