Glycoside
GD023569
Name:
NoneFormula:
C28H34O13SSmiles:
CC(=O)OC[C@@H]1O[C@H](Sc2ccc3ccccc3c2)[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.Sc1ccc2ccccc2c1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.54 |
| AlogP: | 0.27 | Num_rotatable_bonds: | 9 |
| MolWt: | 610.63 | Num_heavy_atoms: | 42 |
| TPSA: | 187.51 | NumAromaticRings: | 2 |
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 |
AD10274
Formula: C10H8S
Smiles:
Sc1ccc2ccccc2c1| HBA: | 0 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 3.13 | Num_rotatable_bonds: | 0 |
| MolWt: | 160.24 | Num_heavy_atoms: | 11 |
| TPSA: | 0.0 | NumAromaticRings: | 2 |
