Glycoside
GD030613
Name:
NoneFormula:
C20H20O8N5PCl2SSmiles:
O=P(O)(O)CS(=O)(=O)C[C@@H]1O[C@H](n2ncc3c(NCc4ccccc4Cl)nc(Cl)nc32)[C@H](O)[C@H]1OAglycone:
CS(=O)(=O)CP(=O)(O)O.Clc1nc2c(c(NCc3ccccc3Cl)n1)C=N[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 8 |
| MolWt: | 568.33 | Num_heavy_atoms: | 35 |
| TPSA: | 196.99 | 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 |
AD19804
Formula: C2H7O5PS
Smiles:
CS(=O)(=O)CP(=O)(O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 174.11 | Num_heavy_atoms: | 9 |
| TPSA: | 91.67 | NumAromaticRings: | 0 |
