Glycoside
GD109460
Name:
NoneFormula:
C23H30O10N4S2Smiles:
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(=S)[nH]cnc21Aglycone:
CCSCn1cnc2c(=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: | 0.57 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 13 |
| MolWt: | 586.65 | Num_heavy_atoms: | 39 |
| TPSA: | 178.0 | NumAromaticRings: | 2 |
Unique Aglycone
AD33554
Formula: C8H10N4S2
Smiles:
CCSCn1cnc2c(=S)[nH]cnc21| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 226.33 | Num_heavy_atoms: | 14 |
| TPSA: | 46.5 | NumAromaticRings: | 2 |
