Glycoside
GD022113
Name:
Hebitol IiFormula:
C21H30O14Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OC[C@@H]1O[C@H](OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COC(=O)C=Cc1ccc(O)c(O)c1Sugarmoiety:
OCC(O)C(O)C(O)C(O)COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.57 |
| AlogP: | -4.09 | Num_rotatable_bonds: | 11 |
| MolWt: | 506.46 | Num_heavy_atoms: | 35 |
| TPSA: | 247.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD03431
Formula: C10H10O4
Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
