Glycoside
GD036165
Name:
NoneFormula:
C10H16O10N3P2ISmiles:
Nc1nc(=O)n([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@H](O)[C@H]2O)cc1IAglycone:
COP(=O)(O)CP(=O)(O)O.Nc1nc(=O)[nH]cc1ISugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.6 |
| AlogP: | -1.61 | Num_rotatable_bonds: | 6 |
| MolWt: | 527.1 | Num_heavy_atoms: | 26 |
| TPSA: | 214.66 | NumAromaticRings: | 1 |
Unique Aglycone
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 |
AD07267
Formula: C4H4ON3I
Smiles:
Nc1nc(=O)[nH]cc1I| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 0 |
| MolWt: | 237.0 | Num_heavy_atoms: | 9 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
