Glycoside
GD024868
Name:
KHAYANOSIDEFormula:
C33H44O13Smiles:
COC(=O)[C@@]1(C)[C@H]([C@]2(C)C=CC(=O)C(C)(C)[C@H]2CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)CC[C@]2(C)[C@H](c3ccoc3)OC(=O)[C@@H]3O[C@]312Aglycone:
COC(=O)C1(C)C(C2(C)C=CC(=O)C(C)(C)C2CO)CCC2(C)C(c3ccoc3)OC(=O)C3OC321Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 7 |
| MolWt: | 648.7 | Num_heavy_atoms: | 46 |
| TPSA: | 194.72 | NumAromaticRings: | 1 |
Unique Aglycone
AD16556
Formula: C27H34O8
Smiles:
COC(=O)C1(C)C(C2(C)C=CC(=O)C(C)(C)C2CO)CCC2(C)C(c3ccoc3)OC(=O)C3OC321| HBA: | 8 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 3.39 | Num_rotatable_bonds: | 4 |
| MolWt: | 486.56 | Num_heavy_atoms: | 35 |
| TPSA: | 115.57 | NumAromaticRings: | 1 |
