Glycoside
GD139391
Name:
(5S)-5-(2-Chlorophenyl)-5-Methyl-3-[2-Oxo-2-(1,2,5-Trimethylpyrrol-3-Yl)Ethyl]Imidazolidine-2,4-DioneFormula:
C21H30O15N6Smiles:
N=C(O)OCC(O)C(O)C(N)C(O)=NC(C(O)=NC(CCC(=O)O)C(=O)O)C1OC(n2cc(C=O)nc2O)C(O)C1OAglycone:
N=C(O)OCC(O)C(O)C(N)C(O)=NCC(O)=NC(CCC(=O)O)C(=O)O.O=CC1=C[N]C(O)=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 2 |
| HBD: | 13 | FractionCSP3: | 0.57 |
| AlogP: | -3.82 | Num_rotatable_bonds: | 15 |
| MolWt: | 606.5 | Num_heavy_atoms: | 42 |
| TPSA: | 364.38 | NumAromaticRings: | 1 |
Unique Aglycone
AD11626
Formula: C4H3O2N2
Smiles:
O=CC1=C[N]C(O)=N1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.08 | Num_heavy_atoms: | 8 |
| TPSA: | 63.76 | NumAromaticRings: | 0 |
AD56206
Formula: C13H22O10N4
Smiles:
N=C(O)OCC(O)C(O)C(N)C(O)=NCC(O)=NC(CCC(=O)O)C(=O)O| HBA: | 14 | RingCount: | 0 |
| HBD: | 10 | FractionCSP3: | 0.62 |
| AlogP: | -2.22 | Num_rotatable_bonds: | 12 |
| MolWt: | 394.34 | Num_heavy_atoms: | 27 |
| TPSA: | 259.57 | NumAromaticRings: | 0 |
