Glycoside
GD031867
Name:
EPOXYMETHOXYGAERTNEROSIDEFormula:
C27H30O15Smiles:
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]1[C@@H]1O[C@H]1[C@@]21C=C(C(O)c2ccc(O)c(OC)c2)C(=O)O1Aglycone:
COC(=O)C1=COC(O)C2C1C1OC1C21C=C(C(O)c2ccc(O)c(OC)c2)C(=O)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -2.1 | Num_rotatable_bonds: | 7 |
| MolWt: | 594.52 | Num_heavy_atoms: | 42 |
| TPSA: | 223.43 | NumAromaticRings: | 1 |
Unique Aglycone
AD20496
Formula: C21H20O10
Smiles:
COC(=O)C1=COC(O)C2C1C1OC1C21C=C(C(O)c2ccc(O)c(OC)c2)C(=O)O1| HBA: | 10 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 4 |
| MolWt: | 432.38 | Num_heavy_atoms: | 31 |
| TPSA: | 144.28 | NumAromaticRings: | 1 |
