Glycoside
GD037982
Name:
p1-(5'-adenosyl)p4-(5'-(2'-deoxy-thymidyl))tetraphosphateFormula:
C20H25O20N7P4Smiles:
Cc1cn([C@@H]2C[C@@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)O2)c(=O)[nH]c1=OAglycone:
COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.55 |
| AlogP: | -4.51 | Num_rotatable_bonds: | 14 |
| MolWt: | 807.34 | Num_heavy_atoms: | 51 |
| TPSA: | 410.3 | NumAromaticRings: | 3 |
Unique Aglycone
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 |
AD23813
Formula: C11H16O17N2P4
Smiles:
COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1O| HBA: | 19 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.64 |
| AlogP: | -2.92 | Num_rotatable_bonds: | 11 |
| MolWt: | 572.14 | Num_heavy_atoms: | 34 |
| TPSA: | 290.99 | NumAromaticRings: | 1 |
