Glycoside
GD030809
Name:
NoneFormula:
C17H27O15N5P2Smiles:
Nc1nc(O)c2ncn(C3O[C@H](COP(=O)(O)CP(=O)(O)OC4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)c2n1Aglycone:
COP(=O)(O)CP(=O)(O)O.Nc1nc(O)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.71 |
| AlogP: | -4.11 | Num_rotatable_bonds: | 9 |
| MolWt: | 603.37 | Num_heavy_atoms: | 39 |
| TPSA: | 322.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD00080
Formula: C5H4ON5
Smiles:
Nc1nc(O)c2c(n1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.49 | NumAromaticRings: | 1 |
AD02310
Formula: C2H8O6P2
Smiles:
COP(=O)(O)CP(=O)(O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 190.03 | Num_heavy_atoms: | 10 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
