Glycoside
GD015443
Name:
KHAINAOSIDE BFormula:
C26H32O13Smiles:
COc1cc(C=CC(=O)O[C@@H]2C[C@@H]3C(C(=O)O)=CO[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3[C@H]2C)ccc1OAglycone:
COc1cc(C=CC(=O)OC2CC3C(C(=O)O)=COC(O)C3C2C)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 8 |
| MolWt: | 552.53 | Num_heavy_atoms: | 39 |
| TPSA: | 201.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD11220
Formula: C20H22O8
Smiles:
COc1cc(C=CC(=O)OC2CC3C(C(=O)O)=COC(O)C3C2C)ccc1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 5 |
| MolWt: | 390.39 | Num_heavy_atoms: | 28 |
| TPSA: | 122.52 | NumAromaticRings: | 1 |
