Glycoside
GD157541
Name:
[({[5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]oxy}(hydroxy)phosphoryl)oxy]({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phosphinic acidFormula:
C14H23O16N3P2Smiles:
N=c1ccn(C2OC(OP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)C(O)C2O)c(O)n1Aglycone:
N=C1C=C[N]C(O)=N1.O=P(O)(O)OP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.71 |
| AlogP: | -4.3 | Num_rotatable_bonds: | 8 |
| MolWt: | 551.29 | Num_heavy_atoms: | 35 |
| TPSA: | 304.03 | NumAromaticRings: | 1 |
Unique Aglycone
AD20397
Formula: H4O7P2
Smiles:
O=P(O)(O)OP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | -0.81 | Num_rotatable_bonds: | 2 |
| MolWt: | 177.97 | Num_heavy_atoms: | 9 |
| TPSA: | 124.29 | NumAromaticRings: | 0 |
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 |
