Glycoside
GD019208
Name:
NoneFormula:
C22H22O9N3FSmiles:
O=C(Nc1ccn([C@@H]2O[C@H](CO[C@@H]3C=C(F)C(=O)[C@H](CO)O3)[C@H](O)[C@H]2O)c(=O)n1)c1ccccc1Aglycone:
COC1C=C(F)C(=O)C(CO)O1.O=C(Nc1cc[nH]c(=O)n1)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | -0.73 | Num_rotatable_bonds: | 7 |
| MolWt: | 491.43 | Num_heavy_atoms: | 35 |
| TPSA: | 169.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD05677
Formula: C11H9O2N3
Smiles:
O=C(Nc1cc[nH]c(=O)n1)c1ccccc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 2 |
| MolWt: | 215.21 | Num_heavy_atoms: | 16 |
| TPSA: | 74.85 | NumAromaticRings: | 2 |
AD13441
Formula: C7H9O4F
Smiles:
COC1C=C(F)C(=O)C(CO)O1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.57 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 2 |
| MolWt: | 176.14 | Num_heavy_atoms: | 12 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
