Glycoside
GD017553
Name:
NoneFormula:
C28H53O14N5Smiles:
N[C@H]1C[C@@H](N)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2N)[C@@H]2O[C@H]3O[C@@H](CO)[C@@H](O[C@H]4O[C@@H](CNCCCCCO[C@@H]12)[C@H](O)[C@@H](O)[C@H]4N)[C@@H]3OAglycone:
NC1CC(N)C2OCCCCCNCC3OC(OC4C(CO)OC(OC2C1O)C4O)C(N)C(O)C3OSugarmoiety:
NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 16 | FractionCSP3: | 1.0 |
| AlogP: | -7.02 | Num_rotatable_bonds: | 4 |
| MolWt: | 683.75 | Num_heavy_atoms: | 47 |
| TPSA: | 322.33 | NumAromaticRings: | 0 |
Unique Aglycone
AD12510
Formula: C22H42O10N4
Smiles:
NC1CC(N)C2OCCCCCNCC3OC(OC4C(CO)OC(OC2C1O)C4O)C(N)C(O)C3O| HBA: | 14 | RingCount: | 4 |
| HBD: | 12 | FractionCSP3: | 1.0 |
| AlogP: | -4.81 | Num_rotatable_bonds: | 1 |
| MolWt: | 522.6 | Num_heavy_atoms: | 36 |
| TPSA: | 237.39 | NumAromaticRings: | 0 |
