Glycoside
GD038435
Name:
(2-aminooxy-ethyl)-[5-(6-amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl]-methyl-sulfoniumFormula:
C13H21O4N6SSmiles:
C[S@+](CCON)C[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OAglycone:
C[S+](C)CCON.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -1.83 | Num_rotatable_bonds: | 6 |
| MolWt: | 357.42 | Num_heavy_atoms: | 24 |
| TPSA: | 154.56 | 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 |
AD24021
Formula: C4H12ONS
Smiles:
C[S+](C)CCON| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 3 |
| MolWt: | 122.21 | Num_heavy_atoms: | 7 |
| TPSA: | 35.25 | NumAromaticRings: | 0 |
