Glycoside
GD012400
Name:
NoneFormula:
C23H34O7N6F2Smiles:
O=C([C@@H]1C[C@H](N2CCN(c3ncc(O)cn3)CC2)CN1[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)N1CCC(F)(F)C1Aglycone:
O=C(C1CC(N2CCN(c3ncc(O)cn3)CC2)CN1)N1CCC(F)(F)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.78 |
| AlogP: | -2.59 | Num_rotatable_bonds: | 5 |
| MolWt: | 544.56 | Num_heavy_atoms: | 38 |
| TPSA: | 166.19 | NumAromaticRings: | 1 |
Unique Aglycone
AD02293
Formula: C17H24O2N6F2
Smiles:
O=C(C1CC(N2CCN(c3ncc(O)cn3)CC2)CN1)N1CCC(F)(F)C1| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | -0.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 382.42 | Num_heavy_atoms: | 27 |
| TPSA: | 84.83 | NumAromaticRings: | 1 |
