Glycoside
GD039825
Name:
[[(2~{r},3~{s},4~{r},5~{r})-5-(6-azanyl-2-piperazin-4-ium-1-yl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acidFormula:
C15H26O9N7P2Smiles:
Nc1nc(N2CC[NH2+]CC2)nc2c1ncn2[C@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)CP(=O)(O)O.Nc1nc(N2CC[NH2+]CC2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.67 |
| AlogP: | -3.25 | Num_rotatable_bonds: | 7 |
| MolWt: | 510.36 | Num_heavy_atoms: | 33 |
| TPSA: | 243.22 | NumAromaticRings: | 2 |
Unique Aglycone
AD02310
Formula: C2H8O6P2
Smiles:
COP(=O)(O)CP(=O)(O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 190.03 | Num_heavy_atoms: | 10 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
AD24549
Formula: C9H13N7
Smiles:
Nc1nc(N2CC[NH2+]CC2)nc2c1N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | -1.65 | Num_rotatable_bonds: | 1 |
| MolWt: | 219.25 | Num_heavy_atoms: | 16 |
| TPSA: | 98.11 | NumAromaticRings: | 1 |
