Glycoside
GD021438
Name:
NoneFormula:
C19H25O4N6ClSSmiles:
CNC(=S)OC[C@@H]1O[C@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@@](C)(O)[C@H]1OAglycone:
CNC(=S)OC.Clc1nc2c(c(NC3CCCC3)n1)N=C[N]2Sugarmoiety:
CC1(O)C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 5 |
| MolWt: | 456.96 | Num_heavy_atoms: | 30 |
| TPSA: | 126.58 | NumAromaticRings: | 2 |
Unique Aglycone
AD00055
Formula: C11H11N5Cl
Smiles:
Clc1nc2c(c(NC3CCCC3)n1)N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 236.69 | Num_heavy_atoms: | 16 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
AD03145
Formula: C3H7ONS
Smiles:
CNC(=S)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 0 |
| MolWt: | 105.16 | Num_heavy_atoms: | 6 |
| TPSA: | 21.26 | NumAromaticRings: | 0 |
