Glycoside
GD018056
Name:
NoneFormula:
C38H64O14Smiles:
CO[C@H]1[C@H]([C@H](C)[C@@H]2O[C@]3(CC[C@](C)([C@@H]4CC[C@](C)([C@@H]5O[C@H]([C@@H]6O[C@@](C)(O)[C@H](C)C[C@H]6C)C[C@H]5O)O4)O3)C[C@H](O)[C@H]2C)O[C@@](O)(CC(=O)O)[C@@H](C)[C@H]1OAglycone:
CCC1OC2(CCC(C)(C3CCC(C)(C4OC(C5OC(C)(O)C(C)CC5C)CC4O)O3)O2)CC(O)C1CSugarmoiety:
COC1C(O)OC(O)(CC(=O)O)C(C)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.97 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 8 |
| MolWt: | 744.92 | Num_heavy_atoms: | 52 |
| TPSA: | 203.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD02346
Formula: C29H50O8
Smiles:
CCC1OC2(CCC(C)(C3CCC(C)(C4OC(C5OC(C)(O)C(C)CC5C)CC4O)O3)O2)CC(O)C1C| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 3.67 | Num_rotatable_bonds: | 4 |
| MolWt: | 526.71 | Num_heavy_atoms: | 37 |
| TPSA: | 106.84 | NumAromaticRings: | 0 |
