Glycoside
GD099602
Name:
NoneFormula:
C23H18O8N2F2Smiles:
O=C(OC[C@H]1O[C@@H](n2ccc(=O)n(C(=O)c3ccc(F)cc3)c2=O)[C@H](O)[C@@H]1O)c1ccc(F)cc1Aglycone:
COC(=O)c1ccc(F)cc1.O=C(c1ccc(F)cc1)n1c(=O)cc[nH]c1=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 488.4 | Num_heavy_atoms: | 35 |
| TPSA: | 137.06 | NumAromaticRings: | 3 |
Unique Aglycone
AD13788
Formula: C8H7O2F
Smiles:
COC(=O)c1ccc(F)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 1 |
| MolWt: | 154.14 | Num_heavy_atoms: | 11 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD42285
Formula: C11H7O3N2F
Smiles:
O=C(c1ccc(F)cc1)n1c(=O)cc[nH]c1=O| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 1 |
| MolWt: | 234.19 | Num_heavy_atoms: | 17 |
| TPSA: | 71.93 | NumAromaticRings: | 2 |
