Glycoside
GD029562
Name:
NoneFormula:
C10H17O8N4PSmiles:
CC(=O)NCc1cn([C@@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@H]2O)nn1Aglycone:
CC(=O)NCC1=C[N]N=N1.COP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.7 |
| AlogP: | -2.36 | Num_rotatable_bonds: | 6 |
| MolWt: | 352.24 | Num_heavy_atoms: | 23 |
| TPSA: | 176.26 | NumAromaticRings: | 1 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD19221
Formula: C5H7ON4
Smiles:
CC(=O)NCC1=C[N]N=N1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 2 |
| MolWt: | 139.14 | Num_heavy_atoms: | 10 |
| TPSA: | 67.92 | NumAromaticRings: | 0 |
