Glycoside
GD015066
Name:
NoneFormula:
C22H19O6N3F3ClSmiles:
O=c1ccn([C@@H]2O[C@H](CNCc3ccc(-c4cc(C(F)(F)F)ccc4Cl)o3)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
CNCc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 6 |
| MolWt: | 501.85 | Num_heavy_atoms: | 34 |
| TPSA: | 129.72 | NumAromaticRings: | 3 |
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 |
AD11003
Formula: C14H11ONF3Cl
Smiles:
CNCc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.23 |
| AlogP: | 4.34 | Num_rotatable_bonds: | 3 |
| MolWt: | 289.68 | Num_heavy_atoms: | 19 |
| TPSA: | 25.17 | NumAromaticRings: | 2 |
