Glycoside
GD025280
Name:
NoneFormula:
C12H16O8N5PSmiles:
CC(=O)NOP(=O)(O)OC[C@@H]1O[C@H](n2cnc3cncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2cncnc2[N]1.COP(=O)(O)ONC(C)=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.37 | Num_rotatable_bonds: | 6 |
| MolWt: | 389.26 | Num_heavy_atoms: | 26 |
| TPSA: | 178.15 | NumAromaticRings: | 2 |
Unique Aglycone
AD01776
Formula: C5H3N4
Smiles:
C1=Nc2cncnc2[N]1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 0 |
| MolWt: | 119.11 | Num_heavy_atoms: | 9 |
| TPSA: | 52.24 | NumAromaticRings: | 1 |
AD16781
Formula: C3H8O5NP
Smiles:
COP(=O)(O)ONC(C)=O| HBA: | 6 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | -0.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 169.07 | Num_heavy_atoms: | 10 |
| TPSA: | 84.86 | NumAromaticRings: | 0 |
