Glycoside
GD124485
Name:
5-amino-6-[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]-2-[(C-hydroxycarbonimidoyl)amino]hexanimidic acidFormula:
C16H25O5N9Smiles:
N=C(O)NC(CCC(N)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C(=N)OAglycone:
CC(N)CCC(NC(=N)O)C(=N)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.56 |
| AlogP: | -1.49 | Num_rotatable_bonds: | 8 |
| MolWt: | 423.43 | Num_heavy_atoms: | 30 |
| TPSA: | 245.52 | 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 |
AD50288
Formula: C7H16O2N4
Smiles:
CC(N)CCC(NC(=N)O)C(=N)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 7 | FractionCSP3: | 0.71 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 5 |
| MolWt: | 188.23 | Num_heavy_atoms: | 13 |
| TPSA: | 126.21 | NumAromaticRings: | 0 |
