Glycoside
GD025563
Name:
NoneFormula:
C33H54O15S6Smiles:
CCc1c(CSS[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(CC)c(CSS[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(CC)c1CSS[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CCc1c(CSS)c(CC)c(CSS)c(CC)c1CSSSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 12 | FractionCSP3: | 0.82 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 18 |
| MolWt: | 883.18 | Num_heavy_atoms: | 54 |
| TPSA: | 270.45 | NumAromaticRings: | 1 |
Unique Aglycone
AD01749
Formula: C15H24S6
Smiles:
CCc1c(CSS)c(CC)c(CSS)c(CC)c1CSS| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.6 |
| AlogP: | 6.61 | Num_rotatable_bonds: | 9 |
| MolWt: | 396.76 | Num_heavy_atoms: | 21 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
