Glycoside
GD107766
Name:
Khekadaengoside KFormula:
C30H42O10Smiles:
CC(=O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12CAglycone:
CC(=O)C1C(O)CC2(C)C3CC=C4C(C=C(O)C(=O)C4(C)C)C3(C)C(=O)CC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.77 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 4 |
| MolWt: | 562.66 | Num_heavy_atoms: | 40 |
| TPSA: | 170.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD16569
Formula: C24H32O5
Smiles:
CC(=O)C1C(O)CC2(C)C3CC=C4C(C=C(O)C(=O)C4(C)C)C3(C)C(=O)CC12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | 3.56 | Num_rotatable_bonds: | 1 |
| MolWt: | 400.52 | Num_heavy_atoms: | 29 |
| TPSA: | 91.67 | NumAromaticRings: | 0 |
