Glycoside
GD005961
Name:
NoneFormula:
C34H42O18S4Smiles:
CC(=O)OC[C@@H]1O[C@H](SSc2cccc(SS[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.COC(C)=O.SSc1cccc(SS)c1Sugarmoiety:
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: | 0.59 |
| AlogP: | 3.33 | Num_rotatable_bonds: | 16 |
| MolWt: | 866.96 | Num_heavy_atoms: | 56 |
| 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 |
AD04981
Formula: C6H6S4
Smiles:
SSc1cccc(SS)c1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 3.56 | Num_rotatable_bonds: | 2 |
| MolWt: | 206.38 | Num_heavy_atoms: | 10 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
