Glycoside
GD108425
Name:
NoneFormula:
C22H28O10N4S2Smiles:
CS[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(=S)[nH]cnc21Aglycone:
CSCn1cnc2c(=S)[nH]cnc21Sugarmoiety:
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: | 1 | FractionCSP3: | 0.55 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 12 |
| MolWt: | 572.62 | Num_heavy_atoms: | 38 |
| TPSA: | 178.0 | NumAromaticRings: | 2 |
Unique Aglycone
AD30369
Formula: C7H8N4S2
Smiles:
CSCn1cnc2c(=S)[nH]cnc21| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 2 |
| MolWt: | 212.3 | Num_heavy_atoms: | 13 |
| TPSA: | 46.5 | NumAromaticRings: | 2 |
