Glycoside
GD133223
Name:
2-[(2,3,4,5,6-pentahydroxyhexyl)amino]pentanedioic acidFormula:
C11H21O9NSmiles:
O=C(O)CCC(NCC(O)C(O)C(O)C(O)CO)C(=O)OAglycone:
CNC(CCC(=O)O)C(=O)OSugarmoiety:
OCC(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 0 |
| HBD: | 8 | FractionCSP3: | 0.82 |
| AlogP: | -3.67 | Num_rotatable_bonds: | 11 |
| MolWt: | 311.29 | Num_heavy_atoms: | 21 |
| TPSA: | 187.78 | NumAromaticRings: | 0 |
Unique Aglycone
AD24515
Formula: C6H11O4N
Smiles:
CNC(CCC(=O)O)C(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | -0.48 | Num_rotatable_bonds: | 5 |
| MolWt: | 161.16 | Num_heavy_atoms: | 11 |
| TPSA: | 86.63 | NumAromaticRings: | 0 |
