Glycoside
GD129196
Name:
4-carbamoyl-4-[2-(2-{[3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}propanamido)-3-hydroxybutanamido]butanoic acidFormula:
C20H34O12N4Smiles:
CC(O)=NC1C(O)OC(CO)C(O)C1OC(C)C(O)=NC(C(O)=NC(CCC(=O)O)C(=N)O)C(C)OAglycone:
CC(O)C(O)=NC(C(O)=NC(CCC(=O)O)C(=N)O)C(C)OSugarmoiety:
CC(O)=NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 1 |
| HBD: | 10 | FractionCSP3: | 0.75 |
| AlogP: | -1.39 | Num_rotatable_bonds: | 13 |
| MolWt: | 522.51 | Num_heavy_atoms: | 36 |
| TPSA: | 278.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD52336
Formula: C12H21O7N3
Smiles:
CC(O)C(O)=NC(C(O)=NC(CCC(=O)O)C(=N)O)C(C)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | -0.2 | Num_rotatable_bonds: | 9 |
| MolWt: | 319.31 | Num_heavy_atoms: | 22 |
| TPSA: | 187.02 | NumAromaticRings: | 0 |
