Glycoside
GD026835
Name:
NoneFormula:
C16H22O14N2FP3Smiles:
CN(C)c1cc2ccn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]3O)c(=O)c2cc1FAglycone:
CN(C)c1cc2cc[nH]c(=O)c2cc1F.COP(=O)(O)OP(=O)(O)OP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 9 |
| MolWt: | 578.27 | Num_heavy_atoms: | 36 |
| TPSA: | 234.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD00534
Formula: CH7O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 271.98 | Num_heavy_atoms: | 14 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
AD17669
Formula: C11H11ON2F
Smiles:
CN(C)c1cc2cc[nH]c(=O)c2cc1F| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 1 |
| MolWt: | 206.22 | Num_heavy_atoms: | 15 |
| TPSA: | 36.1 | NumAromaticRings: | 2 |
