Glycoside
GD126804
Name:
2-(3-methyl-2-{[(2,3,4,5-tetrahydroxyoxan-2-yl)methyl]amino}butanamido)butanedioic acidFormula:
C15H26O10N2Smiles:
CC(C)C(NCC1(O)OCC(O)C(O)C1O)C(O)=NC(CC(=O)O)C(=O)OAglycone:
CNC(C(O)=NC(CC(=O)O)C(=O)O)C(C)CSugarmoiety:
OC1COC(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.8 |
| AlogP: | -2.71 | Num_rotatable_bonds: | 9 |
| MolWt: | 394.38 | Num_heavy_atoms: | 27 |
| TPSA: | 209.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD51324
Formula: C10H18O5N2
Smiles:
CNC(C(O)=NC(CC(=O)O)C(=O)O)C(C)C| HBA: | 7 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.7 |
| AlogP: | 0.11 | Num_rotatable_bonds: | 7 |
| MolWt: | 246.26 | Num_heavy_atoms: | 17 |
| TPSA: | 119.22 | NumAromaticRings: | 0 |
