Glycoside
GD142719
Name:
4-hydroxy-4-[(3-methyl-2,5-dihydrofuran-2-yl)carbamoyl]-2-{[(2,3,4,5-tetrahydroxyoxan-2-yl)methyl]amino}butanoic acidFormula:
C16H26O10N2Smiles:
CC1=CCOC1N=C(O)C(O)CC(NCC1(O)OCC(O)C(O)C1O)C(=O)OAglycone:
CNC(CC(O)C(O)=NC1OCC=C1C)C(=O)OSugarmoiety:
OC1COC(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.75 |
| AlogP: | -3.16 | Num_rotatable_bonds: | 8 |
| MolWt: | 406.39 | Num_heavy_atoms: | 28 |
| TPSA: | 201.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD57428
Formula: C11H18O5N2
Smiles:
CNC(CC(O)C(O)=NC1OCC=C1C)C(=O)O| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.64 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 6 |
| MolWt: | 258.27 | Num_heavy_atoms: | 18 |
| TPSA: | 111.38 | NumAromaticRings: | 0 |
