Glycoside
GD011681
Name:
NoneFormula:
C17H17O5N3FClSmiles:
O=c1ccn([C@@H]2O[C@H](CNCc3c(F)cccc3Cl)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
CNCc1c(F)cccc1Cl.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 5 |
| MolWt: | 385.78 | Num_heavy_atoms: | 26 |
| TPSA: | 116.58 | NumAromaticRings: | 2 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD08895
Formula: C9H9NFCl
Smiles:
CNCc1c(F)cccc1Cl| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 173.62 | Num_heavy_atoms: | 11 |
| TPSA: | 12.03 | NumAromaticRings: | 1 |
