Glycoside
GD026047
Name:
NoneFormula:
C17H27O14N5P2Smiles:
CC1OC(CP(=O)(O)OP(=O)(O)OC[C@@H]2OC(n3cnc4c(O)nc(N)nc43)[C@H](O)[C@H]2O)C(O)C(O)C1OAglycone:
COP(=O)(O)OP(C)(=O)O.Nc1nc(O)c2c(n1)[N]C=N2Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.71 |
| AlogP: | -3.08 | Num_rotatable_bonds: | 8 |
| MolWt: | 587.37 | Num_heavy_atoms: | 38 |
| TPSA: | 302.52 | 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 |
AD02133
Formula: C2H8O6P2
Smiles:
COP(=O)(O)OP(C)(=O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 3 |
| MolWt: | 190.03 | Num_heavy_atoms: | 10 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
