Glycoside
GD092994
Name:
NoneFormula:
C18H16O6N2F3ClSmiles:
COC(=O)[C@@](O)(COC(=O)c1cccc(Cl)c1)[C@@](O)(c1nccn1C)C(F)(F)FAglycone:
Cn1ccnc1.O=Cc1cccc(Cl)c1Sugarmoiety:
COC(=O)C(O)(COO)C(O)(O)C(F)(F)FOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.35 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 6 |
| MolWt: | 436.77 | Num_heavy_atoms: | 29 |
| TPSA: | 110.88 | NumAromaticRings: | 2 |
Unique Aglycone
AD03652
Formula: C4H6N2
Smiles:
Cn1ccnc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 0 |
| MolWt: | 82.11 | Num_heavy_atoms: | 6 |
| TPSA: | 17.82 | NumAromaticRings: | 1 |
AD40377
Formula: C8H5OCl
Smiles:
O=Cc1cccc(Cl)c1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 1 |
| MolWt: | 140.57 | Num_heavy_atoms: | 9 |
| TPSA: | 17.07 | NumAromaticRings: | 1 |
