Glycoside
GD036031
Name:
NoneFormula:
C20H29O9N5PClSSmiles:
CC(CS(C)(=O)=O)(OC[C@@H]1O[C@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@H]1O)P(=O)(O)OAglycone:
COC(C)(CS(C)(=O)=O)P(=O)(O)O.Clc1nc2c(c(NC3CCCC3)n1)C=N[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.74 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 9 |
| MolWt: | 569.96 | Num_heavy_atoms: | 36 |
| TPSA: | 206.22 | NumAromaticRings: | 2 |
Unique Aglycone
AD07274
Formula: C11H11N5Cl
Smiles:
Clc1nc2c(c(NC3CCCC3)n1)C=N[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 2 |
| MolWt: | 236.69 | Num_heavy_atoms: | 16 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
AD22763
Formula: C5H13O6PS
Smiles:
COC(C)(CS(C)(=O)=O)P(=O)(O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.43 | Num_rotatable_bonds: | 4 |
| MolWt: | 232.19 | Num_heavy_atoms: | 13 |
| TPSA: | 100.9 | NumAromaticRings: | 0 |
