Glycoside
GD031078
Name:
NoneFormula:
C24H32O10N6F2Smiles:
O=C(O)[C@@H]1O[C@H](OC(=O)N2C[C@H](N3CCN(c4ncc(O)cn4)CC3)C[C@H]2C(=O)N2CCC(F)(F)C2)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=C(C1CC(N2CCN(c3ncc(O)cn3)CC2)CN1C(=O)O)N1CCC(F)(F)C1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | -2.36 | Num_rotatable_bonds: | 5 |
| MolWt: | 602.55 | Num_heavy_atoms: | 42 |
| TPSA: | 209.56 | NumAromaticRings: | 1 |
Unique Aglycone
AD20055
Formula: C18H24O4N6F2
Smiles:
O=C(C1CC(N2CCN(c3ncc(O)cn3)CC2)CN1C(=O)O)N1CCC(F)(F)C1| HBA: | 10 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 0.29 | Num_rotatable_bonds: | 3 |
| MolWt: | 426.42 | Num_heavy_atoms: | 30 |
| TPSA: | 113.34 | NumAromaticRings: | 1 |
