Glycoside
GD027401
Name:
NoneFormula:
C22H46O9N6Smiles:
NCCCNCC[C@H]1[C@H](O)[C@@H](O[C@H]2[C@H](O[C@@H]3O[C@H](CN)[C@H](O)[C@H](O)[C@H]3N)[C@@H](N)C[C@@H](N)[C@H]2O)O[C@H]1COAglycone:
CCNCCCN.NC1CC(N)C(O)C(O)C1OSugarmoiety:
NCC1OC(O)C(N)C(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 16 | FractionCSP3: | 1.0 |
| AlogP: | -6.07 | Num_rotatable_bonds: | 12 |
| MolWt: | 538.64 | Num_heavy_atoms: | 37 |
| TPSA: | 280.2 | NumAromaticRings: | 0 |
Unique Aglycone
AD00009
Formula: C6H14O3N2
Smiles:
NC1CC(N)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 0 |
| MolWt: | 162.19 | Num_heavy_atoms: | 11 |
| TPSA: | 112.73 | NumAromaticRings: | 0 |
AD18010
Formula: C5H14N2
Smiles:
CCNCCCN| HBA: | 2 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 4 |
| MolWt: | 102.18 | Num_heavy_atoms: | 7 |
| TPSA: | 38.05 | NumAromaticRings: | 0 |
