Glycoside
GD007232
Name:
NoneFormula:
C18H23O5N6ClSSmiles:
CCN=C(S)OC[C@@H]1OC(n2cnc3c(NC4CCOC4)nc(Cl)nc32)[C@H](O)[C@H]1OAglycone:
CCN=C(S)OC.Clc1nc2c(c(NC3CCOC3)n1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.65 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 6 |
| MolWt: | 458.93 | Num_heavy_atoms: | 30 |
| TPSA: | 136.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD00046
Formula: C10H9ON5Cl
Smiles:
Clc1nc2c(c(NC3CCOC3)n1)N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.44 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 2 |
| MolWt: | 238.66 | Num_heavy_atoms: | 16 |
| TPSA: | 73.5 | NumAromaticRings: | 1 |
AD05903
Formula: C4H9ONS
Smiles:
CCN=C(S)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.75 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 1 |
| MolWt: | 119.19 | Num_heavy_atoms: | 7 |
| TPSA: | 21.59 | NumAromaticRings: | 0 |
