Glycoside
GD003470
Name:
NoneFormula:
C19H27O6N3Smiles:
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1O[C@H](CNC2CCCCCC2)[C@H](O)[C@H]1OAglycone:
CNC1CCCCCC1.O=CNc1ccc([N+](=O)[O-])cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.63 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 6 |
| MolWt: | 393.44 | Num_heavy_atoms: | 28 |
| TPSA: | 133.96 | NumAromaticRings: | 1 |
Unique Aglycone
AD03159
Formula: C8H17N
Smiles:
CNC1CCCCCC1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 1.93 | Num_rotatable_bonds: | 1 |
| MolWt: | 127.23 | Num_heavy_atoms: | 9 |
| TPSA: | 12.03 | NumAromaticRings: | 0 |
AD03160
Formula: C7H6O3N2
Smiles:
O=CNc1ccc([N+](=O)[O-])cc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 166.14 | Num_heavy_atoms: | 12 |
| TPSA: | 72.24 | NumAromaticRings: | 1 |
