Glycoside
GD072732
Name:
NoneFormula:
C18H24O8N2Smiles:
O=C(C(=O)N1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21)[C@H](O)[C@H](O)[C@H](O)COAglycone:
c1cncc(OC2CNC3CCCOC32)c1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.61 |
| AlogP: | -2.14 | Num_rotatable_bonds: | 7 |
| MolWt: | 396.4 | Num_heavy_atoms: | 28 |
| TPSA: | 149.65 | NumAromaticRings: | 1 |
Unique Aglycone
AD33866
Formula: C12H16O2N2
Smiles:
c1cncc(OC2CNC3CCCOC32)c1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.58 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 2 |
| MolWt: | 220.27 | Num_heavy_atoms: | 16 |
| TPSA: | 43.38 | NumAromaticRings: | 1 |
