Glycoside
GD116148
Name:
2-({[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)propanoic acidFormula:
C9H17O7NSmiles:
CC(NCC1(O)OC(CO)C(O)C1O)C(=O)OAglycone:
CNC(C)C(=O)OSugarmoiety:
OCC1OC(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | -3.15 | Num_rotatable_bonds: | 5 |
| MolWt: | 251.23 | Num_heavy_atoms: | 17 |
| TPSA: | 139.48 | NumAromaticRings: | 0 |
Unique Aglycone
AD46076
Formula: C4H9O2N
Smiles:
CNC(C)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 2 |
| MolWt: | 103.12 | Num_heavy_atoms: | 7 |
| TPSA: | 49.33 | NumAromaticRings: | 0 |
