Glycoside
GD013295
Name:
NoneFormula:
C23H46O9N6Smiles:
NC[C@@H]1CC[C@H](N)[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CN)CC[C@H]3N)[C@H]2O)O1Aglycone:
NCC1CCC(N)C(O)O1.NCC1CCC(N)C(OC2C(N)CC(N)C(O)C2O)O1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 15 | FractionCSP3: | 1.0 |
| AlogP: | -4.78 | Num_rotatable_bonds: | 9 |
| MolWt: | 550.65 | Num_heavy_atoms: | 38 |
| TPSA: | 272.19 | NumAromaticRings: | 0 |
Unique Aglycone
AD01521
Formula: C12H26O4N4
Smiles:
NCC1CCC(N)C(OC2C(N)CC(N)C(O)C2O)O1| HBA: | 8 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 1.0 |
| AlogP: | -3.06 | Num_rotatable_bonds: | 3 |
| MolWt: | 290.36 | Num_heavy_atoms: | 20 |
| TPSA: | 163.0 | NumAromaticRings: | 0 |
AD07457
Formula: C6H14O2N2
Smiles:
NCC1CCC(N)C(O)O1| HBA: | 4 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -1.23 | Num_rotatable_bonds: | 1 |
| MolWt: | 146.19 | Num_heavy_atoms: | 10 |
| TPSA: | 81.5 | NumAromaticRings: | 0 |
