Glycoside
GD057198
Name:
NoneFormula:
C13H22O6N4Smiles:
O[C@@H]1[C@@H](O)[C@H](O)O[C@H](Cn2cc(CN3CCOCC3)nn2)[C@@H]1OAglycone:
Cn1cc(CN2CCOCC2)nn1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.85 |
| AlogP: | -3.09 | Num_rotatable_bonds: | 4 |
| MolWt: | 330.34 | Num_heavy_atoms: | 23 |
| TPSA: | 133.33 | NumAromaticRings: | 1 |
Unique Aglycone
AD28693
Formula: C8H14ON4
Smiles:
Cn1cc(CN2CCOCC2)nn1| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.75 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 2 |
| MolWt: | 182.23 | Num_heavy_atoms: | 13 |
| TPSA: | 43.18 | NumAromaticRings: | 1 |
