Glycoside
GD108416
Name:
NoneFormula:
C23H30O10N4S2Smiles:
CSc1ncnc2c1ncn2[C@@H](SC)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=OAglycone:
CSCn1cnc2c(SC)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: | 1.7 | Num_rotatable_bonds: | 13 |
| MolWt: | 586.65 | Num_heavy_atoms: | 39 |
| TPSA: | 175.1 | NumAromaticRings: | 2 |
Unique Aglycone
AD44431
Formula: C8H10N4S2
Smiles:
CSCn1cnc2c(SC)ncnc21| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.38 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 3 |
| MolWt: | 226.33 | Num_heavy_atoms: | 14 |
| TPSA: | 43.6 | NumAromaticRings: | 2 |
