Glycoside
GD106063
Name:
NoneFormula:
C24H37O10N4Smiles:
COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H]1[C@@H](O)O[C@@H](CO)[C@@H](O)[C@H]1OAglycone:
COC(=O)CCC([NH3+])C(=O)NC(Cc1ccccc1)C(=O)NC(C)C(N)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.58 |
| AlogP: | -4.3 | Num_rotatable_bonds: | 12 |
| MolWt: | 541.58 | Num_heavy_atoms: | 38 |
| TPSA: | 231.39 | NumAromaticRings: | 1 |
Unique Aglycone
AD44104
Formula: C18H27O5N4
Smiles:
COC(=O)CCC([NH3+])C(=O)NC(Cc1ccccc1)C(=O)NC(C)C(N)=O| HBA: | 9 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.44 |
| AlogP: | -1.73 | Num_rotatable_bonds: | 10 |
| MolWt: | 379.44 | Num_heavy_atoms: | 27 |
| TPSA: | 155.23 | NumAromaticRings: | 1 |
