Glycoside
GD017656
Name:
DEHYDROMETHOXYGAERTNEROSIDEFormula:
C27H28O14Smiles:
COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H]1C=C[C@@]21C=C(C(=O)c2ccc(O)c(OC)c2)C(=O)O1Aglycone:
COC(=O)C1=COC(O)C2C1C=CC21C=C(C(=O)c2ccc(O)c(OC)c2)C(=O)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 576.51 | Num_heavy_atoms: | 41 |
| TPSA: | 207.74 | NumAromaticRings: | 1 |
Unique Aglycone
AD12582
Formula: C21H18O9
Smiles:
COC(=O)C1=COC(O)C2C1C=CC21C=C(C(=O)c2ccc(O)c(OC)c2)C(=O)O1| HBA: | 9 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 4 |
| MolWt: | 414.37 | Num_heavy_atoms: | 30 |
| TPSA: | 128.59 | NumAromaticRings: | 1 |
