Glycoside
GD038297
Name:
[(2r,3s,4r,5r)-5-[2-azanyl-6,8-bis(oxidanylidene)-1,7-dihydropurin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphateFormula:
C10H14O9N5PSmiles:
Nc1nc2c([nH]c(=O)n2[C@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
COP(=O)(O)O.Nc1nc2[nH]c(=O)[nH]c2c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -3.28 | Num_rotatable_bonds: | 4 |
| MolWt: | 379.22 | Num_heavy_atoms: | 25 |
| TPSA: | 226.01 | 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 |
AD18815
Formula: C5H5O2N5
Smiles:
Nc1nc2[nH]c(=O)[nH]c2c(=O)[nH]1| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | -1.48 | Num_rotatable_bonds: | 0 |
| MolWt: | 167.13 | Num_heavy_atoms: | 12 |
| TPSA: | 120.42 | NumAromaticRings: | 2 |
