Glycoside
GD138370
Name:
2-(3-methyl-2-{[(2,3,4,5-tetrahydroxyoxan-2-yl)methyl]amino}pentanamido)pentanedioic acidFormula:
C17H30O10N2Smiles:
CCC(C)C(NCC1(O)OCC(O)C(O)C1O)C(O)=NC(CCC(=O)O)C(=O)OAglycone:
CCC(C)C(NC)C(O)=NC(CCC(=O)O)C(=O)OSugarmoiety:
OC1COC(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.82 |
| AlogP: | -1.93 | Num_rotatable_bonds: | 11 |
| MolWt: | 422.43 | Num_heavy_atoms: | 29 |
| TPSA: | 209.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD55864
Formula: C12H22O5N2
Smiles:
CCC(C)C(NC)C(O)=NC(CCC(=O)O)C(=O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 9 |
| MolWt: | 274.32 | Num_heavy_atoms: | 19 |
| TPSA: | 119.22 | NumAromaticRings: | 0 |
