Glycoside
GD156839
Name:
butyl 4-carbamoyl-2-[2-(2-{[3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}propanamido)propanamido]butanoateFormula:
C23H40O11N4Smiles:
CCCCOC(=O)C(CCC(=N)O)N=C(O)C(C)N=C(O)C(C)OC1C(O)C(CO)OC(O)C1N=C(C)OAglycone:
CCCCOC(=O)C(CCC(=N)O)N=C(O)C(C)N=C(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: | 0.5 | Num_rotatable_bonds: | 15 |
| MolWt: | 548.59 | Num_heavy_atoms: | 38 |
| TPSA: | 247.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD62061
Formula: C15H27O6N3
Smiles:
CCCCOC(=O)C(CCC(=N)O)N=C(O)C(C)N=C(O)C(C)O| HBA: | 9 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.73 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 11 |
| MolWt: | 345.4 | Num_heavy_atoms: | 24 |
| TPSA: | 155.79 | NumAromaticRings: | 0 |
