Glycoside
GD032323
Name:
NoneFormula:
C22H25O9N5P2Cl2Smiles:
COP(=O)(O)CP(=O)(OC)OC[C@@H]1O[C@H](n2ncc3c(NCc4ccccc4Cl)nc(Cl)nc32)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)CP(=O)(OC)OC.Clc1nc2c(c(NCc3ccccc3Cl)n1)C=N[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 3.01 | Num_rotatable_bonds: | 11 |
| MolWt: | 612.3 | Num_heavy_atoms: | 38 |
| TPSA: | 187.38 | NumAromaticRings: | 3 |
Unique Aglycone
AD01715
Formula: C14H8N5Cl2
Smiles:
Clc1nc2c(c(NCc3ccccc3Cl)n1)C=N[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 3 |
| MolWt: | 293.14 | Num_heavy_atoms: | 19 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
AD20739
Formula: C4H12O6P2
Smiles:
COP(=O)(O)CP(=O)(OC)OC| HBA: | 6 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 5 |
| MolWt: | 218.08 | Num_heavy_atoms: | 12 |
| TPSA: | 82.06 | NumAromaticRings: | 0 |
