Glycoside
GD031376
Name:
SaccharocinFormula:
C21H40O12N4Smiles:
CN[C@@H]1[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)O[C@@H]2C[C@H](N)[C@H](O[C@@H]3[C@H](N)C[C@H](N)[C@H](O)[C@H]3O)O[C@H]2[C@H]1OAglycone:
CNC1C(O)OC2CC(N)C(OC3C(N)CC(N)C(O)C3O)OC2C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 14 | FractionCSP3: | 1.0 |
| AlogP: | -6.92 | Num_rotatable_bonds: | 6 |
| MolWt: | 540.57 | Num_heavy_atoms: | 37 |
| TPSA: | 277.85 | NumAromaticRings: | 0 |
Unique Aglycone
AD09390
Formula: C15H30O7N4
Smiles:
CNC1C(O)OC2CC(N)C(OC3C(N)CC(N)C(O)C3O)OC2C1O| HBA: | 11 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 1.0 |
| AlogP: | -4.74 | Num_rotatable_bonds: | 3 |
| MolWt: | 378.43 | Num_heavy_atoms: | 26 |
| TPSA: | 198.7 | NumAromaticRings: | 0 |
