Glycoside
GD039903
Name:
5'-phosphothymidine (3'-5')-pyrophosphate adenosine 3'-phosphateFormula:
C20H27O20N7P4Smiles:
Cc1cn([C@@H]2C[C@@H](O[P@](=O)([O-])O[P@](=O)([O-])OC[C@H]3O[C@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3OP(=O)(O)O)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]c1=OAglycone:
COP(=O)([O-])OP(=O)([O-])OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)O.Nc1ncnc2c1N=C[N]2.O=P(O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.55 |
| AlogP: | -3.24 | Num_rotatable_bonds: | 14 |
| MolWt: | 809.36 | Num_heavy_atoms: | 51 |
| TPSA: | 404.64 | NumAromaticRings: | 3 |
Unique Aglycone
AD00019
Formula: H3O4P
Smiles:
O=P(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.99 | Num_heavy_atoms: | 5 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD24581
Formula: C11H17O14N2P3
Smiles:
COP(=O)([O-])OP(=O)([O-])OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)O| HBA: | 16 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.64 |
| AlogP: | -1.77 | Num_rotatable_bonds: | 9 |
| MolWt: | 494.18 | Num_heavy_atoms: | 30 |
| TPSA: | 238.8 | NumAromaticRings: | 1 |
