Glycoside
GD034043
Name:
NoneFormula:
C42H62O13Smiles:
CC(C)(C)c1cc(C(=O)OC[C@@H]2O[C@H](O[C@@H]3O[C@H](COC(=O)c4cc(C(C)(C)C)cc(C(C)(C)C)c4)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)cc(C(C)(C)C)c1Aglycone:
COC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1.COC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1Sugarmoiety:
OC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | 3.52 | Num_rotatable_bonds: | 8 |
| MolWt: | 774.95 | Num_heavy_atoms: | 55 |
| TPSA: | 201.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD21686
Formula: C16H24O2
Smiles:
COC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.56 |
| AlogP: | 4.07 | Num_rotatable_bonds: | 1 |
| MolWt: | 248.37 | Num_heavy_atoms: | 18 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
