Glycoside
GD027585
Name:
NoneFormula:
C33H52O19Smiles:
CO[C@@H]1O[C@H](C)[C@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H]2OCCOCCOc3ccccc3OCCOCCO[C@@H]21Aglycone:
COC1OC(C)C(O)C2OCCOCCOc3ccccc3OCCOCCOC12Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.82 |
| AlogP: | -3.34 | Num_rotatable_bonds: | 7 |
| MolWt: | 752.76 | Num_heavy_atoms: | 52 |
| TPSA: | 252.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD01327
Formula: C21H32O9
Smiles:
COC1OC(C)C(O)C2OCCOCCOc3ccccc3OCCOCCOC12| HBA: | 9 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.71 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 1 |
| MolWt: | 428.48 | Num_heavy_atoms: | 30 |
| TPSA: | 94.07 | NumAromaticRings: | 1 |
