Glycoside
GD026164
Name:
NoneFormula:
C10H13O7N4PSmiles:
O=P(O)(O)OC[C@@H]1O[C@H](c2n[nH]c3cncnc23)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)O.c1ncc2[nH]ncc2n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.38 | Num_rotatable_bonds: | 4 |
| MolWt: | 332.21 | Num_heavy_atoms: | 22 |
| TPSA: | 170.91 | NumAromaticRings: | 2 |
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 |
AD16807
Formula: C5H4N4
Smiles:
c1ncc2[nH]ncc2n1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 0 |
| MolWt: | 120.11 | Num_heavy_atoms: | 9 |
| TPSA: | 54.46 | NumAromaticRings: | 2 |
