Glycoside
GD095746
Name:
NoneFormula:
C21H25O9N3Smiles:
N#Cc1ccc(N2C[C@]3(COCCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C3)OCC2=O)cc1Aglycone:
N#Cc1ccc(N2CC3(CNCCOC3)OCC2=O)cc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.52 |
| AlogP: | -2.84 | Num_rotatable_bonds: | 6 |
| MolWt: | 463.44 | Num_heavy_atoms: | 33 |
| TPSA: | 180.86 | NumAromaticRings: | 1 |
Unique Aglycone
AD40810
Formula: C15H17O3N3
Smiles:
N#Cc1ccc(N2CC3(CNCCOC3)OCC2=O)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.47 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 287.32 | Num_heavy_atoms: | 21 |
| TPSA: | 74.59 | NumAromaticRings: | 1 |
