Glycoside
GD124038
Name:
3-(2-hydroxy-3,3-dimethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanamido)propanoic acidFormula:
C15H27O10NSmiles:
CC(C)(COC1OC(CO)C(O)C(O)C1O)C(O)C(O)=NCCC(=O)OAglycone:
CC(C)(CO)C(O)C(O)=NCCC(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.87 |
| AlogP: | -2.38 | Num_rotatable_bonds: | 9 |
| MolWt: | 381.38 | Num_heavy_atoms: | 26 |
| TPSA: | 189.5 | NumAromaticRings: | 0 |
Unique Aglycone
AD50080
Formula: C9H17O5N
Smiles:
CC(C)(CO)C(O)C(O)=NCCC(=O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.78 |
| AlogP: | -0.2 | Num_rotatable_bonds: | 6 |
| MolWt: | 219.24 | Num_heavy_atoms: | 15 |
| TPSA: | 110.35 | NumAromaticRings: | 0 |
