Glycoside
GD020017
Name:
NoneFormula:
C13H18O9N5PSmiles:
CCCn1c(=O)n(C2OC(COP(=O)([O-])[O-])[C@H](O)[C@H]2O)c2nc(N)nc(O)c21Aglycone:
CCCn1c(=O)[nH]c2nc(N)nc(O)c21.COP(=O)([O-])[O-]Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -3.24 | Num_rotatable_bonds: | 6 |
| MolWt: | 419.29 | Num_heavy_atoms: | 28 |
| TPSA: | 221.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD01339
Formula: CH3O4P
Smiles:
COP(=O)([O-])[O-]| HBA: | 4 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -1.54 | Num_rotatable_bonds: | 1 |
| MolWt: | 110.0 | Num_heavy_atoms: | 6 |
| TPSA: | 72.42 | NumAromaticRings: | 0 |
AD12292
Formula: C8H11O2N5
Smiles:
CCCn1c(=O)[nH]c2nc(N)nc(O)c21| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 2 |
| MolWt: | 209.21 | Num_heavy_atoms: | 15 |
| TPSA: | 109.82 | NumAromaticRings: | 2 |
