Glycoside
GD027386
Name:
HEDYOTOSIDE BFormula:
C26H30O15Smiles:
Cc1occc(=O)c1O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(COC(=O)C=Cc3ccc(O)c(O)c3)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
COC(=O)C=Cc1ccc(O)c(O)c1.Cc1occc(=O)c1OSugarmoiety:
OC1OC(COC2OCC(O)(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | -1.73 | Num_rotatable_bonds: | 9 |
| MolWt: | 582.51 | Num_heavy_atoms: | 41 |
| TPSA: | 235.04 | NumAromaticRings: | 2 |
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 |
AD12565
Formula: C6H6O3
Smiles:
Cc1occc(=O)c1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 50.44 | NumAromaticRings: | 1 |
