Glycoside
GD039140
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 phosphono hydrogen phosphateFormula:
C10H15O12N5P2Smiles:
Nc1nc2c([nH]c(=O)n2[C@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
COP(=O)(O)OP(=O)(O)O.Nc1nc2[nH]c(=O)[nH]c2c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.5 |
| AlogP: | -3.16 | Num_rotatable_bonds: | 6 |
| MolWt: | 459.2 | Num_heavy_atoms: | 29 |
| TPSA: | 272.54 | NumAromaticRings: | 2 |
Unique Aglycone
AD00305
Formula: CH6O7P2
Smiles:
COP(=O)(O)OP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.0 | Num_heavy_atoms: | 10 |
| TPSA: | 113.29 | 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 |
