Glycoside
GD001683
Name:
NoneFormula:
C36H64O15Smiles:
CC#CCC[C@H](O)[C@H](C[C@H](O)[C@H](O)[C@]1(O)O[C@H](C[C@H](COC)O[C@@H]2C[C@@](C)(O)[C@H](O[C@@H]3C[C@H](OC)[C@H](O)[C@H](C)O3)[C@H](C)O2)[C@H](C)[C@H](O)[C@H]1C)OCAglycone:
CC#CCCC(O)C(CC(O)C(O)C1(O)OC(CC(O)COC)C(C)C(O)C1C)OCSugarmoiety:
COC1CC(OC2C(C)OC(O)CC2(C)O)OC(C)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.94 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 17 |
| MolWt: | 736.89 | Num_heavy_atoms: | 51 |
| TPSA: | 215.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD01661
Formula: C22H40O9
Smiles:
CC#CCCC(O)C(CC(O)C(O)C1(O)OC(CC(O)COC)C(C)C(O)C1C)OC| HBA: | 9 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.91 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 12 |
| MolWt: | 448.55 | Num_heavy_atoms: | 31 |
| TPSA: | 149.07 | NumAromaticRings: | 0 |
