Glycoside
GD038762
Name:
13,15-diamino-2-(aminomethyl)-3,4,9,12-tetrahydroxyhexadecahydro-2h-7,10-epoxypyrano[2,3-b][1,10,4]benzodioxazacyclododecin-8-yl 2,6-diamino-2,6-dideoxyhexopyranosideFormula:
C23H44O12N6Smiles:
NC[C@H]1O[C@H](O[C@@H]2[C@H]3CN[C@@H]4[C@@H](O[C@H]5[C@@H](N)C[C@@H](N)[C@@H](O)[C@H]5O[C@@H](O3)[C@@H]2O)O[C@H](CN)[C@H](O)[C@@H]4O)[C@@H](N)[C@@H](O)[C@H]1OAglycone:
NCC1OC2OC3C(N)CC(N)C(O)C3OC3OC(CNC2C(O)C1O)C(O)C3OSugarmoiety:
NCC1OC(O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 17 | FractionCSP3: | 1.0 |
| AlogP: | -8.24 | Num_rotatable_bonds: | 4 |
| MolWt: | 596.64 | Num_heavy_atoms: | 41 |
| TPSA: | 318.89 | NumAromaticRings: | 0 |
Unique Aglycone
AD17319
Formula: C17H32O9N4
Smiles:
NCC1OC2OC3C(N)CC(N)C(O)C3OC3OC(CNC2C(O)C1O)C(O)C3O| HBA: | 13 | RingCount: | 4 |
| HBD: | 12 | FractionCSP3: | 1.0 |
| AlogP: | -6.0 | Num_rotatable_bonds: | 1 |
| MolWt: | 436.46 | Num_heavy_atoms: | 30 |
| TPSA: | 228.16 | NumAromaticRings: | 0 |
