Glycoside
GD029847
Name:
NoneFormula:
C27H40O14Smiles:
C[C@@H]1O[C@H](OC[C@@H]2O[C@H](OC(=O)[C@@]3(C)CCC[C@]4(C)C5=C(COC5=O)[C@H](O)C[C@H]34)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC1(C(=O)O)CCCC2(C)C3=C(COC3=O)C(O)CC12Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.85 |
| AlogP: | -2.39 | Num_rotatable_bonds: | 5 |
| MolWt: | 588.6 | Num_heavy_atoms: | 41 |
| TPSA: | 221.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD19365
Formula: C15H20O5
Smiles:
CC1(C(=O)O)CCCC2(C)C3=C(COC3=O)C(O)CC12| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.73 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 280.32 | Num_heavy_atoms: | 20 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
