Glycoside
GD022890
Name:
NoneFormula:
C22H35O9N3Smiles:
C=C(NCCCCCCO[C@@]1(C(C)=O)O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](N)c1ccc(C(=O)O)[nH]1Aglycone:
C=C(NCCCCCCO)C(N)c1ccc(C(=O)O)[nH]1Sugarmoiety:
CC(=O)C1(O)OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.64 |
| AlogP: | -0.85 | Num_rotatable_bonds: | 14 |
| MolWt: | 485.53 | Num_heavy_atoms: | 34 |
| TPSA: | 207.59 | NumAromaticRings: | 1 |
Unique Aglycone
AD15462
Formula: C14H23O3N3
Smiles:
C=C(NCCCCCCO)C(N)c1ccc(C(=O)O)[nH]1| HBA: | 6 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 10 |
| MolWt: | 281.36 | Num_heavy_atoms: | 20 |
| TPSA: | 111.37 | NumAromaticRings: | 1 |
