Glycoside
GD039954
Name:
~{n}-[[(2~{r},3~{s},4~{r},5~{r})-5-[8-[3-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-4-azanyl-butanamideFormula:
C27H34O8N12Smiles:
NCCCC(=O)NC[C@H]1O[C@H](n2c(C#CCOC[C@H]3O[C@H](n4cnc5c(N)ncnc54)[C@@H](O)[C@H]3O)nc3c(N)ncnc32)[C@@H](O)[C@H]1OAglycone:
CNC(=O)CCCN.COCC#CC1=Nc2c(N)ncnc2[N]1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.52 |
| AlogP: | -3.71 | Num_rotatable_bonds: | 10 |
| MolWt: | 654.64 | Num_heavy_atoms: | 47 |
| TPSA: | 302.97 | NumAromaticRings: | 4 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD07516
Formula: C9H8ON5
Smiles:
COCC#CC1=Nc2c(N)ncnc2[N]1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | -0.01 | Num_rotatable_bonds: | 1 |
| MolWt: | 202.2 | Num_heavy_atoms: | 15 |
| TPSA: | 87.49 | NumAromaticRings: | 1 |
AD24607
Formula: C5H12ON2
Smiles:
CNC(=O)CCCN| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 3 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 55.12 | NumAromaticRings: | 0 |
