Glycoside
GD081185
Name:
NoneFormula:
C17H25O9N3Smiles:
CCOC(=O)C(C(=O)OCC)c1ccnc(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)n1Aglycone:
CCOC(=O)C(C(=O)OCC)c1ccnc(N)n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.65 |
| AlogP: | -2.1 | Num_rotatable_bonds: | 8 |
| MolWt: | 415.4 | Num_heavy_atoms: | 29 |
| TPSA: | 180.56 | NumAromaticRings: | 1 |
Unique Aglycone
AD36608
Formula: C11H15O4N3
Smiles:
CCOC(=O)C(C(=O)OCC)c1ccnc(N)n1| HBA: | 7 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 0.27 | Num_rotatable_bonds: | 5 |
| MolWt: | 253.26 | Num_heavy_atoms: | 18 |
| TPSA: | 104.4 | NumAromaticRings: | 1 |
