Glycoside
GD111076
Name:
NoneFormula:
C26H36O10SSmiles:
CC(=O)OC[C@@H]1O[C@H](SCCOc2cc(C)ccc2C(C)C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.Cc1ccc(C(C)C)c(OCCS)c1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.62 |
| AlogP: | 3.31 | Num_rotatable_bonds: | 11 |
| MolWt: | 540.63 | Num_heavy_atoms: | 37 |
| TPSA: | 123.66 | 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 |
AD44690
Formula: C12H18OS
Smiles:
Cc1ccc(C(C)C)c(OCCS)c1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 3.43 | Num_rotatable_bonds: | 4 |
| MolWt: | 210.34 | Num_heavy_atoms: | 14 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
