Glycoside
GD075095
Name:
NoneFormula:
C17H25O8N3Smiles:
O=C(N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1cnc(OCC2CCOCC2)nc1Aglycone:
NC(=O)c1cnc(OCC2CCOCC2)nc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | -2.19 | Num_rotatable_bonds: | 6 |
| MolWt: | 399.4 | Num_heavy_atoms: | 28 |
| TPSA: | 163.49 | NumAromaticRings: | 1 |
Unique Aglycone
AD34765
Formula: C11H15O3N3
Smiles:
NC(=O)c1cnc(OCC2CCOCC2)nc1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.55 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 4 |
| MolWt: | 237.26 | Num_heavy_atoms: | 17 |
| TPSA: | 87.33 | NumAromaticRings: | 1 |
