Glycoside
GD116849
Name:
4-{[5-amino-5-carbamoyl-1-({1-[(1-carboxyethyl)carbamoyl]ethyl}carbamoyl)pentyl]carbamoyl}-2-[2-(2-{[3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}propanamido)propanamido]butanoic acidFormula:
C32H54O16N8Smiles:
CC(O)=NC1C(O)OC(CO)C(O)C1OC(C)C(O)=NC(C)C(O)=NC(CCC(O)=NC(CCCC(N)C(=N)O)C(O)=NC(C)C(O)=NC(C)C(=O)O)C(=O)OAglycone:
CC(O)C(O)=NC(C)C(O)=NC(CCC(O)=NC(CCCC(N)C(=N)O)C(O)=NC(C)C(O)=NC(C)C(=O)O)C(=O)OSugarmoiety:
CC(O)=NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 1 |
| HBD: | 15 | FractionCSP3: | 0.72 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 23 |
| MolWt: | 806.82 | Num_heavy_atoms: | 56 |
| TPSA: | 419.39 | NumAromaticRings: | 0 |
Unique Aglycone
AD46487
Formula: C24H41O11N7
Smiles:
CC(O)C(O)=NC(C)C(O)=NC(CCC(O)=NC(CCCC(N)C(=N)O)C(O)=NC(C)C(O)=NC(C)C(=O)O)C(=O)O| HBA: | 18 | RingCount: | 0 |
| HBD: | 12 | FractionCSP3: | 0.67 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 19 |
| MolWt: | 603.63 | Num_heavy_atoms: | 42 |
| TPSA: | 327.88 | NumAromaticRings: | 0 |
