Glycoside
GD017358
Name:
NoneFormula:
C22H43O12N5Smiles:
CN[C@@H]1[C@H](O)[C@H](O[C@H]2[C@H](NC(=O)C(O)CN)C[C@@H](N)[C@@H](O[C@@H]3O[C@H](CN)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)OC[C@]1(C)OAglycone:
NCC(O)C(=O)NC1CC(N)C(O)C(O)C1OSugarmoiety:
CNC1C(O)C(O)OCC1(C)O.NCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 15 | FractionCSP3: | 0.95 |
| AlogP: | -7.52 | Num_rotatable_bonds: | 9 |
| MolWt: | 569.61 | Num_heavy_atoms: | 39 |
| TPSA: | 297.72 | NumAromaticRings: | 0 |
Unique Aglycone
AD01604
Formula: C9H19O5N3
Smiles:
NCC(O)C(=O)NC1CC(N)C(O)C(O)C1O| HBA: | 8 | RingCount: | 1 |
| HBD: | 9 | FractionCSP3: | 0.89 |
| AlogP: | -4.4 | Num_rotatable_bonds: | 3 |
| MolWt: | 249.27 | Num_heavy_atoms: | 17 |
| TPSA: | 162.06 | NumAromaticRings: | 0 |
