Glycoside
GD011021
Name:
MURABUTIDEFormula:
C23H40O11N4Smiles:
CCCCOC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)O[C@H]1[C@H](NC(C)=O)C(O)O[C@@H](CO)[C@H]1OAglycone:
CCCCOC(=O)C(CCC(N)=O)NC(=O)C(C)NC(=O)C(C)OSugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.78 |
| AlogP: | -3.07 | Num_rotatable_bonds: | 15 |
| MolWt: | 548.59 | Num_heavy_atoms: | 38 |
| TPSA: | 235.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD08452
Formula: C15H27O6N3
Smiles:
CCCCOC(=O)C(CCC(N)=O)NC(=O)C(C)NC(=O)C(C)O| HBA: | 9 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.73 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 11 |
| MolWt: | 345.4 | Num_heavy_atoms: | 24 |
| TPSA: | 147.82 | NumAromaticRings: | 0 |
