Glycoside
GD137948
Name:
KakkaninFormula:
C27H30O14Smiles:
COc1ccc(-c2coc3cc(OC4OC(COC5OCC(O)C(O)C5O)C(O)C(O)C4O)cc(O)c3c2=O)cc1Aglycone:
COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.44 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 7 |
| MolWt: | 578.52 | Num_heavy_atoms: | 41 |
| TPSA: | 217.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD01905
Formula: C16H12O5
Smiles:
COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 79.9 | NumAromaticRings: | 3 |
