Glycoside
GD150227
Name:
Kushenol JFormula:
C27H32O14Smiles:
COc1ccc(C2Oc3cc(OC4OC(COC5OCC(O)C(O)C5O)C(O)C(O)C4O)ccc3C(=O)C2O)cc1Aglycone:
COc1ccc(C2Oc3cc(O)ccc3C(=O)C2O)cc1Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | -1.99 | Num_rotatable_bonds: | 7 |
| MolWt: | 580.54 | Num_heavy_atoms: | 41 |
| TPSA: | 214.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD60023
Formula: C16H14O5
Smiles:
COc1ccc(C2Oc3cc(O)ccc3C(=O)C2O)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.19 |
| AlogP: | 2.08 | Num_rotatable_bonds: | 2 |
| MolWt: | 286.28 | Num_heavy_atoms: | 21 |
| TPSA: | 75.99 | NumAromaticRings: | 2 |
