Glycoside
GD141840
Name:
2-methoxyethyl N-[({6-[({[5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(methyl)phosphoryl)oxy]-4-hydroxy-6-methyl-2-(1,2,3-trihydroxypropyl)oxan-3-yl}carbamoyl)methyl]carbamateFormula:
C25H42O16N5PSmiles:
COCCOC(O)=NCC(O)=NC1C(O)CC(C)(OP(C)(=O)OCC2OC(n3ccc(=N)nc3O)C(O)C2O)OC1C(O)C(O)COAglycone:
COCCOC(O)=NCC(O)=NC1C(O)CC(C)(OP(C)(=O)OC)OC1C(O)C(O)CO.N=C1C=C[N]C(O)=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.76 |
| AlogP: | -2.97 | Num_rotatable_bonds: | 15 |
| MolWt: | 699.6 | Num_heavy_atoms: | 47 |
| TPSA: | 320.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD45484
Formula: C4H4ON3
Smiles:
N=C1C=C[N]C(O)=N1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 0 |
| MolWt: | 110.1 | Num_heavy_atoms: | 8 |
| TPSA: | 70.54 | NumAromaticRings: | 0 |
AD57109
Formula: C17H33O12N2P
Smiles:
COCCOC(O)=NCC(O)=NC1C(O)CC(C)(OP(C)(=O)OC)OC1C(O)C(O)CO| HBA: | 14 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.88 |
| AlogP: | -1.05 | Num_rotatable_bonds: | 12 |
| MolWt: | 488.43 | Num_heavy_atoms: | 32 |
| TPSA: | 209.32 | NumAromaticRings: | 0 |
