Glycoside
GD157260
Name:
[({[({5-[(2,5-diamino-6-oxo-3,6-dihydropyrimidin-4-yl)amino]-2,3-dihydroxy-4-oxopentyl}oxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl)oxy]phosphonic acidFormula:
C9H18O14N5P3Smiles:
N=c1nc(O)c(N)c(NCC(=O)C(O)C(O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[nH]1Aglycone:
CNc1[nH]c(=N)nc(O)c1N.O=[PH](O)OP(=O)(O)OP(=O)(O)OSugarmoiety:
O=C(O)C(O)C(O)COOOOther Identifiers
Properties
| HBA: | 19 | RingCount: | 1 |
| HBD: | 12 | FractionCSP3: | 0.44 |
| AlogP: | -2.78 | Num_rotatable_bonds: | 12 |
| MolWt: | 513.19 | Num_heavy_atoms: | 31 |
| TPSA: | 328.16 | NumAromaticRings: | 1 |
Unique Aglycone
AD44984
Formula: C5H9ON5
Smiles:
CNc1[nH]c(=N)nc(O)c1N| HBA: | 6 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.2 |
| AlogP: | -0.78 | Num_rotatable_bonds: | 1 |
| MolWt: | 155.16 | Num_heavy_atoms: | 11 |
| TPSA: | 110.81 | NumAromaticRings: | 1 |
AD62189
Formula: H5O9P3
Smiles:
O=[PH](O)OP(=O)(O)OP(=O)(O)O| HBA: | 9 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 4 |
| MolWt: | 241.95 | Num_heavy_atoms: | 12 |
| TPSA: | 150.59 | NumAromaticRings: | 0 |
