Glycoside
GD021724
Name:
NoneFormula:
C24H31O13SBrSmiles:
CC(=O)OC[C@@H]1O[C@H](Sc2ccc(Br)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COC(C)=O.Sc1ccc(Br)cc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 9 |
| MolWt: | 639.47 | Num_heavy_atoms: | 39 |
| TPSA: | 187.51 | 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 |
AD14803
Formula: C6H5SBr
Smiles:
Sc1ccc(Br)cc1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 189.08 | Num_heavy_atoms: | 8 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
