Glycoside
GD039920
Name:
phosphoric acid mono-[5-(2-amino-5-aminomethyl-4-oxo-3,5-dihydro-4h-pyrido[2,3-d]pyrimidin-8-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl] esterFormula:
C12H18O8N5PSmiles:
NCc1cn([C@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]2O)c2nc(N)[nH]c(=O)c12Aglycone:
COP(=O)(O)O.NCC1=C[N]c2nc(N)[nH]c(=O)c21Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.5 |
| AlogP: | -2.51 | Num_rotatable_bonds: | 5 |
| MolWt: | 391.28 | Num_heavy_atoms: | 26 |
| TPSA: | 219.17 | NumAromaticRings: | 2 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD24588
Formula: C7H8ON5
Smiles:
NCC1=C[N]c2nc(N)[nH]c(=O)c21| HBA: | 6 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.14 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 1 |
| MolWt: | 178.17 | Num_heavy_atoms: | 13 |
| TPSA: | 111.89 | NumAromaticRings: | 1 |
