Glycoside
GD038165
Name:
9-[(5e)-7-carbamimidamido-5,6,7-trideoxy-beta-d-ribo-hept-5-enofuranosyl]-9h-purin-6-amineFormula:
C13H18O3N8Smiles:
N=C(N)NCC=C[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OAglycone:
C=CCNC(=N)N.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.38 |
| AlogP: | -1.93 | Num_rotatable_bonds: | 4 |
| MolWt: | 334.34 | Num_heavy_atoms: | 24 |
| TPSA: | 181.21 | 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 |
AD23883
Formula: C4H9N3
Smiles:
C=CCNC(=N)N| HBA: | 3 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 2 |
| MolWt: | 99.14 | Num_heavy_atoms: | 7 |
| TPSA: | 61.9 | NumAromaticRings: | 0 |
