Glycoside
GD039915
Name:
phosphoric acid mono-[3-(3-{[5-(4-amino-2-oxo-2h-pyrimidin-1-yl)-3,4- dihydroxy-tetrahydro-furan-2- ylmethoxy]-hydroxy-phosphoryloxy}-3-oxo-propylcarbamoyl)-3-hydroxy-2,2- dimethyl-propyl] esterFormula:
C18H30O15N4P2Smiles:
CC(C)(COP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)O[P@](=O)(O)OC[C@H]1O[C@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)OC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.67 |
| AlogP: | -2.89 | Num_rotatable_bonds: | 13 |
| MolWt: | 604.4 | Num_heavy_atoms: | 39 |
| TPSA: | 299.52 | NumAromaticRings: | 1 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD24587
Formula: C10H21O11NP2
Smiles:
COP(=O)(O)OC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O| HBA: | 12 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.8 |
| AlogP: | -0.72 | Num_rotatable_bonds: | 10 |
| MolWt: | 393.22 | Num_heavy_atoms: | 24 |
| TPSA: | 188.92 | NumAromaticRings: | 0 |
