Glycoside
GD076243
Name:
NoneFormula:
C18H22O7N2Smiles:
N#Cc1ccc(O[C@@H]2CCCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C2)cc1Aglycone:
N#Cc1ccc(OC2CCCNC2)cc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.43 | Num_rotatable_bonds: | 7 |
| MolWt: | 378.38 | Num_heavy_atoms: | 27 |
| TPSA: | 151.32 | NumAromaticRings: | 1 |
Unique Aglycone
AD35193
Formula: C12H14ON2
Smiles:
N#Cc1ccc(OC2CCCNC2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.42 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 2 |
| MolWt: | 202.26 | Num_heavy_atoms: | 15 |
| TPSA: | 45.05 | NumAromaticRings: | 1 |
