Glycoside
GD039592
Name:
1-[3-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]propyl]-3-[(4~{s})-4-azanyl-5-oxidanylidene-pentyl]guanidineFormula:
C18H29O4N9Smiles:
N=C(NCCC[C@@H](N)C=O)NCCC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCCNC(=N)NCCCC(N)C=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.61 |
| AlogP: | -1.77 | Num_rotatable_bonds: | 10 |
| MolWt: | 435.49 | Num_heavy_atoms: | 31 |
| TPSA: | 210.31 | NumAromaticRings: | 2 |
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 |
AD24467
Formula: C9H20ON4
Smiles:
CCCNC(=N)NCCCC(N)C=O| HBA: | 5 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.78 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 7 |
| MolWt: | 200.29 | Num_heavy_atoms: | 14 |
| TPSA: | 91.0 | NumAromaticRings: | 0 |
