Glycoside
GD020783
Name:
NoneFormula:
C36H46O18S4Smiles:
CC(=O)OC[C@@H]1O[C@H](SSCc2ccc(CSS[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.COC(C)=O.SSCc1ccc(CSS)cc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O.CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.61 |
| AlogP: | 3.62 | Num_rotatable_bonds: | 18 |
| MolWt: | 895.01 | Num_heavy_atoms: | 58 |
| TPSA: | 228.86 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD01751
Formula: C8H10S4
Smiles:
SSCc1ccc(CSS)cc1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 3.84 | Num_rotatable_bonds: | 4 |
| MolWt: | 234.44 | Num_heavy_atoms: | 12 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
