Glycoside
GD109461
Name:
NoneFormula:
C24H29O10N4ClSSmiles:
CCS[C@@H]([C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)n1cnc2c(Cl)ncnc21Aglycone:
CCSCn1cnc2c(Cl)ncnc21Sugarmoiety:
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(O)OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.57 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 13 |
| MolWt: | 589.02 | Num_heavy_atoms: | 39 |
| TPSA: | 175.1 | NumAromaticRings: | 2 |
Unique Aglycone
AD35304
Formula: C9H9N4ClS
Smiles:
CCSCn1cnc2c(Cl)ncnc21| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.38 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 3 |
| MolWt: | 228.71 | Num_heavy_atoms: | 14 |
| TPSA: | 43.6 | NumAromaticRings: | 2 |
