Glycoside
GD005816
Name:
Hythiemoside AFormula:
C28H46O9Smiles:
CC(=O)OCC(O)[C@@]1(C)C=C2CC[C@@H]3C(C)(C)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)CC[C@@]3(C)[C@H]2CC1Aglycone:
CC(=O)OCC(O)C1(C)C=C2CCC3C(C)(C)C(O)CCC3(C)C2CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 6 |
| MolWt: | 526.67 | Num_heavy_atoms: | 37 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD04881
Formula: C22H36O4
Smiles:
CC(=O)OCC(O)C1(C)C=C2CCC3C(C)(C)C(O)CCC3(C)C2CC1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 3.85 | Num_rotatable_bonds: | 3 |
| MolWt: | 364.53 | Num_heavy_atoms: | 26 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
