Glycoside
GD014053
Name:
REMDESIVIRFormula:
C27H35O8N6PSmiles:
CCC(CC)COC(=O)[C@H](C)N[P@@](=O)(OC[C@@H]1O[C@](C#N)(c2ccc3c(N)ncnn23)[C@H](O)[C@H]1O)Oc1ccccc1Aglycone:
CCC(CC)COC(=O)C(C)NP(=O)(OC)Oc1ccccc1.Nc1ncnn2cccc12Sugarmoiety:
N#CC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 13 |
| MolWt: | 602.59 | Num_heavy_atoms: | 42 |
| TPSA: | 203.55 | NumAromaticRings: | 3 |
Unique Aglycone
AD05072
Formula: C6H6N4
Smiles:
Nc1ncnn2cccc12| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.14 | Num_heavy_atoms: | 10 |
| TPSA: | 56.21 | NumAromaticRings: | 2 |
AD07425
Formula: C16H26O5NP
Smiles:
CCC(CC)COC(=O)C(C)NP(=O)(OC)Oc1ccccc1| HBA: | 6 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.56 |
| AlogP: | 3.78 | Num_rotatable_bonds: | 10 |
| MolWt: | 343.36 | Num_heavy_atoms: | 23 |
| TPSA: | 73.86 | NumAromaticRings: | 1 |
