Glycoside
GD039177
Name:
9-(7-{[amino(iminio)methyl]amino}-5,6,7-trideoxy-beta-d-ribo-heptofuranosyl)-9h-purin-6-amineFormula:
C13H21O3N8Smiles:
NC(=[NH2+])NCCC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1OAglycone:
CCCNC(N)=[NH2+].Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.54 |
| AlogP: | -3.53 | Num_rotatable_bonds: | 5 |
| MolWt: | 337.36 | Num_heavy_atoms: | 24 |
| TPSA: | 182.95 | 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 |
AD24300
Formula: C4H12N3
Smiles:
CCCNC(N)=[NH2+]| HBA: | 3 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.75 |
| AlogP: | -1.94 | Num_rotatable_bonds: | 2 |
| MolWt: | 102.16 | Num_heavy_atoms: | 7 |
| TPSA: | 63.64 | NumAromaticRings: | 0 |
