Glycoside
GD086446
Name:
NoneFormula:
C20H44O6N5Smiles:
C[NH2+][C@@H]1[C@@H](O)[C@H](O[C@@H]2[C@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3CC(C[NH3+])=CC[C@H]3[NH3+])[C@H]2O)OC[C@]1(C)OAglycone:
[NH3+]CC1=CCC([NH3+])C(OC2C([NH3+])CC([NH3+])C(O)C2O)C1Sugarmoiety:
C[NH2+]C1C(O)C(O)OCC1(C)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 17 | FractionCSP3: | 0.9 |
| AlogP: | -7.29 | Num_rotatable_bonds: | 6 |
| MolWt: | 450.6 | Num_heavy_atoms: | 31 |
| TPSA: | 215.55 | NumAromaticRings: | 0 |
Unique Aglycone
AD38299
Formula: C13H30O3N4
Smiles:
[NH3+]CC1=CCC([NH3+])C(OC2C([NH3+])CC([NH3+])C(O)C2O)C1| HBA: | 7 | RingCount: | 2 |
| HBD: | 14 | FractionCSP3: | 0.85 |
| AlogP: | -5.34 | Num_rotatable_bonds: | 3 |
| MolWt: | 290.41 | Num_heavy_atoms: | 20 |
| TPSA: | 160.25 | NumAromaticRings: | 0 |
