Glycoside
GD002397
Name:
NoneFormula:
C23H32O8N6F2Smiles:
O=C(O)[C@@H]1O[C@H](Oc2cnc(N3CCN([C@@H]4CN[C@H](C(=O)N5CCC(F)(F)C5)C4)CC3)nc2)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=C(C1CC(N2CCN(c3ncc(O)cn3)CC2)CN1)N1CCC(F)(F)C1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.74 |
| AlogP: | -2.53 | Num_rotatable_bonds: | 6 |
| MolWt: | 558.54 | Num_heavy_atoms: | 39 |
| TPSA: | 181.05 | 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 |
