Glycoside
GD106067
Name:
NoneFormula:
C25H53O10N6Smiles:
C[NH2+][C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3OC(C[NH2+]CCO)=CC[C@H]3[NH3+])[C@@H]([NH3+])C[C@H]2NC(=O)[C@@H](O)CC[NH3+])OC[C@]1(C)OAglycone:
[NH3+]CCC(O)C(=O)NC1CC([NH3+])C(OC2OC(C[NH2+]CCO)=CCC2[NH3+])C(O)C1OSugarmoiety:
C[NH2+]C1C(O)C(O)OCC1(C)OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 19 | FractionCSP3: | 0.88 |
| AlogP: | -9.56 | Num_rotatable_bonds: | 13 |
| MolWt: | 597.73 | Num_heavy_atoms: | 41 |
| TPSA: | 283.31 | NumAromaticRings: | 0 |
Unique Aglycone
AD44106
Formula: C18H39O7N5
Smiles:
[NH3+]CCC(O)C(=O)NC1CC([NH3+])C(OC2OC(C[NH2+]CCO)=CCC2[NH3+])C(O)C1O| HBA: | 12 | RingCount: | 2 |
| HBD: | 16 | FractionCSP3: | 0.83 |
| AlogP: | -7.62 | Num_rotatable_bonds: | 10 |
| MolWt: | 437.54 | Num_heavy_atoms: | 30 |
| TPSA: | 228.01 | NumAromaticRings: | 0 |
