Glycoside
GD120299
Name:
4-carbamoyl-4-[2-(3-{[3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}propanamido)propanamido]butanoic acidFormula:
C19H32O11N4Smiles:
CC(O)=NC1C(O)OC(CO)C(O)C1OCCC(O)=NC(C)C(O)=NC(CCC(=O)O)C(=N)OAglycone:
CC(N=C(O)CCO)C(O)=NC(CCC(=O)O)C(=N)OSugarmoiety:
CC(O)=NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 1 |
| HBD: | 9 | FractionCSP3: | 0.74 |
| AlogP: | -0.75 | Num_rotatable_bonds: | 13 |
| MolWt: | 492.48 | Num_heavy_atoms: | 34 |
| TPSA: | 258.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD48311
Formula: C11H19O6N3
Smiles:
CC(N=C(O)CCO)C(O)=NC(CCC(=O)O)C(=N)O| HBA: | 9 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 0.64 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 9 |
| MolWt: | 289.29 | Num_heavy_atoms: | 20 |
| TPSA: | 166.79 | NumAromaticRings: | 0 |
