Glycoside
GD081264
Name:
NoneFormula:
C19H22O6N3FSmiles:
O=C(C(=O)N1CCc2[nH]nc(-c3ccc(F)cc3)c2CC1)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
Fc1ccc(-c2n[nH]c3c2CCNCC3)cc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | -1.21 | Num_rotatable_bonds: | 6 |
| MolWt: | 407.4 | Num_heavy_atoms: | 29 |
| TPSA: | 146.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD36630
Formula: C13H14N3F
Smiles:
Fc1ccc(-c2n[nH]c3c2CCNCC3)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 1 |
| MolWt: | 231.27 | Num_heavy_atoms: | 17 |
| TPSA: | 40.71 | NumAromaticRings: | 2 |
