Glycoside
GD070618
Name:
NoneFormula:
C19H29O5N2Smiles:
C=CC[N@@H+]1CCC[C@@H]1c1ccc(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)cc1Aglycone:
C=CC[NH+]1CCCC1c1ccc(N)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.58 |
| AlogP: | -1.2 | Num_rotatable_bonds: | 6 |
| MolWt: | 365.45 | Num_heavy_atoms: | 26 |
| TPSA: | 106.62 | NumAromaticRings: | 1 |
Unique Aglycone
AD33453
Formula: C13H19N2
Smiles:
C=CC[NH+]1CCCC1c1ccc(N)cc1| HBA: | 2 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 203.31 | Num_heavy_atoms: | 15 |
| TPSA: | 30.46 | NumAromaticRings: | 1 |
