Glycoside
GD007505
Name:
NoneFormula:
C17H22O7N5ClSSmiles:
O=S(=O)(O)OC[C@@H]1O[C@H](n2cnc3c(NC4CCCCC4)nc(Cl)nc32)[C@H](O)[C@H]1OAglycone:
COS(=O)(=O)O.Clc1nc2c(c(NC3CCCCC3)n1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 6 |
| MolWt: | 463.9 | Num_heavy_atoms: | 30 |
| TPSA: | 168.92 | NumAromaticRings: | 2 |
Unique Aglycone
AD00053
Formula: CH4O4S
Smiles:
COS(=O)(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.11 | Num_heavy_atoms: | 6 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
AD02885
Formula: C12H13N5Cl
Smiles:
Clc1nc2c(c(NC3CCCCC3)n1)N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.55 |
| AlogP: | 2.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 250.71 | Num_heavy_atoms: | 17 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
