Glycoside
GD010017
Name:
NoneFormula:
C35H52O21Smiles:
COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)O[C@H](OC[C@@H]3O[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](O)[C@H]3O)C[C@H]12Aglycone:
COC(=O)C1=COC(O)C2C(C)OC(OC)CC12.COC(=O)C1=COC(O)C2C(C)OC(OC)CC12Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.83 |
| AlogP: | -3.15 | Num_rotatable_bonds: | 11 |
| MolWt: | 808.78 | Num_heavy_atoms: | 56 |
| TPSA: | 286.51 | NumAromaticRings: | 0 |
Unique Aglycone
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 |
