Glycoside
GD099416
Name:
4-[2,3,4,5-tetrakis(acetyloxy)pentanamido]benzoic acidFormula:
C20H23O11NSmiles:
CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)Nc1ccc(C(=O)O)cc1Aglycone:
Nc1ccc(C(=O)O)cc1Sugarmoiety:
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(=O)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 10 |
| MolWt: | 453.4 | Num_heavy_atoms: | 32 |
| TPSA: | 171.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD04803
Formula: C7H7O2N
Smiles:
Nc1ccc(C(=O)O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 1 |
| MolWt: | 137.14 | Num_heavy_atoms: | 10 |
| TPSA: | 63.32 | NumAromaticRings: | 1 |
