Glycoside
GD018907
Name:
NoneFormula:
C15H17O8N4PSmiles:
NC(=O)c1cn([C@@H]2O[C@H](COP3(=O)OCc4ccccc4O3)[C@H](O)[C@H]2O)nn1Aglycone:
COP1(=O)OCc2ccccc2O1.NC(=O)C1=C[N]N=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 5 |
| MolWt: | 412.3 | Num_heavy_atoms: | 28 |
| TPSA: | 168.25 | NumAromaticRings: | 2 |
Unique Aglycone
AD03052
Formula: C8H9O4P
Smiles:
COP1(=O)OCc2ccccc2O1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 2.35 | Num_rotatable_bonds: | 1 |
| MolWt: | 200.13 | Num_heavy_atoms: | 13 |
| TPSA: | 44.76 | NumAromaticRings: | 1 |
AD11304
Formula: C3H3ON4
Smiles:
NC(=O)C1=C[N]N=N1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.7 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.08 | Num_heavy_atoms: | 8 |
| TPSA: | 81.91 | NumAromaticRings: | 0 |
