Glycoside
GD020133
Name:
NoneFormula:
C35H52O20Smiles:
COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)O[C@H](O[C@@H]3[C@H](CO)O[C@H](O[C@@H]4OC=C(C(=O)OC)[C@@H]5C[C@H](OC)O[C@H](C)[C@H]45)[C@H](O)[C@H]3O)C[C@H]12Aglycone:
COC(=O)C1=COC(O)C2C(C)OC(O)CC12.COC(=O)C1=COC(O)C2C(C)OC(OC)CC12Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.83 |
| AlogP: | -2.12 | Num_rotatable_bonds: | 10 |
| MolWt: | 792.78 | Num_heavy_atoms: | 55 |
| TPSA: | 266.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD00332
Formula: C11H16O6
Smiles:
COC(=O)C1=COC(O)C2C(C)OC(O)CC12| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.73 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 1 |
| MolWt: | 244.24 | Num_heavy_atoms: | 17 |
| TPSA: | 85.22 | NumAromaticRings: | 0 |
AD06625
Formula: C12H18O6
Smiles:
COC(=O)C1=COC(O)C2C(C)OC(OC)CC12| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 2 |
| MolWt: | 258.27 | Num_heavy_atoms: | 18 |
| TPSA: | 74.22 | NumAromaticRings: | 0 |
