Glycoside
GD038432
Name:
8-n-octylamino-adenosine diphosphate hydroxypyrrolidinediolFormula:
C23H42O12N7P2Smiles:
CCCCCCCCNc1nc2c(N)ncnc2n1[C@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2[NH2+]C[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1OAglycone:
CCCCCCCCNC1=Nc2c(N)ncnc2[N]1.COP(=O)(O)OP(=O)(O)OCC1[NH2+]CC(O)C1OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.78 |
| AlogP: | -1.28 | Num_rotatable_bonds: | 17 |
| MolWt: | 670.57 | Num_heavy_atoms: | 44 |
| TPSA: | 290.7 | NumAromaticRings: | 2 |
Unique Aglycone
AD24018
Formula: C13H21N6
Smiles:
CCCCCCCCNC1=Nc2c(N)ncnc2[N]1| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.62 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 7 |
| MolWt: | 261.35 | Num_heavy_atoms: | 19 |
| TPSA: | 90.29 | NumAromaticRings: | 1 |
AD24019
Formula: C6H16O9NP2
Smiles:
COP(=O)(O)OP(=O)(O)OCC1[NH2+]CC(O)C1O| HBA: | 10 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -2.47 | Num_rotatable_bonds: | 6 |
| MolWt: | 308.14 | Num_heavy_atoms: | 18 |
| TPSA: | 159.36 | NumAromaticRings: | 0 |
