Glycoside
GD073513
Name:
NoneFormula:
C16H22O7N4Smiles:
O=C(C(=O)N1C[C@@H]2OCCN(c3cnccn3)[C@@H]2C1)[C@H](O)[C@H](O)[C@H](O)COAglycone:
c1cnc(N2CCOC3CNCC32)cn1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -3.46 | Num_rotatable_bonds: | 6 |
| MolWt: | 382.37 | Num_heavy_atoms: | 27 |
| TPSA: | 156.55 | NumAromaticRings: | 1 |
Unique Aglycone
AD34062
Formula: C10H14ON4
Smiles:
c1cnc(N2CCOC3CNCC32)cn1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 1 |
| MolWt: | 206.25 | Num_heavy_atoms: | 15 |
| TPSA: | 50.28 | NumAromaticRings: | 1 |
