Glycoside
GD130839
Name:
4-methyl-2-({[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)pentanoic acidFormula:
C12H23O7NSmiles:
CC(C)CC(NCC1(O)OC(CO)C(O)C1O)C(=O)OAglycone:
CNC(CC(C)C)C(=O)OSugarmoiety:
OCC1OC(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.92 |
| AlogP: | -2.12 | Num_rotatable_bonds: | 7 |
| MolWt: | 293.32 | Num_heavy_atoms: | 20 |
| TPSA: | 139.48 | NumAromaticRings: | 0 |
Unique Aglycone
AD53014
Formula: C7H15O2N
Smiles:
CNC(CC(C)C)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 4 |
| MolWt: | 145.2 | Num_heavy_atoms: | 10 |
| TPSA: | 49.33 | NumAromaticRings: | 0 |
