Glycoside
GD023190
Name:
NoneFormula:
C27H55O5N5Smiles:
CCCCCCCCCO[C@@H]1[C@H](CN)O[C@H](OC[C@H](O)CN=[N+]=[N-])[C@H](N)[C@H]1OCCCCCCCCCAglycone:
CCCCCCCCCO.CCCCCCCCCO.[N-]=[N+]=NCC(O)COSugarmoiety:
NCC1OC(O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 4.96 | Num_rotatable_bonds: | 24 |
| MolWt: | 529.77 | Num_heavy_atoms: | 37 |
| TPSA: | 157.95 | NumAromaticRings: | 0 |
Unique Aglycone
AD00649
Formula: C9H20O
Smiles:
CCCCCCCCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 2.73 | Num_rotatable_bonds: | 7 |
| MolWt: | 144.26 | Num_heavy_atoms: | 10 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
AD15623
Formula: C3H7O2N3
Smiles:
[N-]=[N+]=NCC(O)CO| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 3 |
| MolWt: | 117.11 | Num_heavy_atoms: | 8 |
| TPSA: | 89.22 | NumAromaticRings: | 0 |
