Glycoside
GD130565
Name:
4-carbamoyl-4-[2-(2-{[3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}acetamido)propanamido]butanoic acidFormula:
C18H30O11N4Smiles:
CC(O)=NC1C(O)OC(CO)C(O)C1OCC(O)=NC(C)C(O)=NC(CCC(=O)O)C(=N)OAglycone:
CC(N=C(O)CO)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: | 0.72 |
| AlogP: | -1.14 | Num_rotatable_bonds: | 12 |
| MolWt: | 478.46 | Num_heavy_atoms: | 33 |
| TPSA: | 258.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD52912
Formula: C10H17O6N3
Smiles:
CC(N=C(O)CO)C(O)=NC(CCC(=O)O)C(=N)O| HBA: | 9 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 8 |
| MolWt: | 275.26 | Num_heavy_atoms: | 19 |
| TPSA: | 166.79 | NumAromaticRings: | 0 |
