Glycoside
GD037416
Name:
NoneFormula:
C21H23O9N5P2Cl2Smiles:
COP(=O)(O)CP(=O)(O)OC[C@@H]1O[C@H](n2ncc3c(NCc4ccccc4Cl)nc(Cl)nc32)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)CP(=O)(O)OC.Clc1nc2c(c(NCc3ccccc3Cl)n1)C=N[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | 2.36 | Num_rotatable_bonds: | 10 |
| MolWt: | 598.27 | Num_heavy_atoms: | 37 |
| TPSA: | 198.38 | NumAromaticRings: | 3 |
Unique Aglycone
AD00695
Formula: C3H10O6P2
Smiles:
COP(=O)(O)CP(=O)(O)OC| HBA: | 6 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 4 |
| MolWt: | 204.05 | Num_heavy_atoms: | 11 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
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 |
