Glycoside
GD129896
Name:
3-hydroxy-2-({[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)butanoic acidFormula:
C10H19O8NSmiles:
CC(O)C(NCC1(O)OC(CO)C(O)C1O)C(=O)OAglycone:
CNC(C(=O)O)C(C)OSugarmoiety:
OCC1OC(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.9 |
| AlogP: | -3.79 | Num_rotatable_bonds: | 6 |
| MolWt: | 281.26 | Num_heavy_atoms: | 19 |
| TPSA: | 159.71 | NumAromaticRings: | 0 |
Unique Aglycone
AD14506
Formula: C5H11O3N
Smiles:
CNC(C(=O)O)C(C)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | -0.96 | Num_rotatable_bonds: | 3 |
| MolWt: | 133.15 | Num_heavy_atoms: | 9 |
| TPSA: | 69.56 | NumAromaticRings: | 0 |
