Glycoside
GD024254
Name:
DEHYDROGAERTNEROSIDEFormula:
C26H26O13Smiles:
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)cc2)C(=O)O1Aglycone:
COC(=O)C1=COC(O)C2C1C=CC21C=C(C(=O)c2ccc(O)cc2)C(=O)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 6 |
| MolWt: | 546.48 | Num_heavy_atoms: | 39 |
| TPSA: | 198.51 | NumAromaticRings: | 1 |
Unique Aglycone
AD16207
Formula: C20H16O8
Smiles:
COC(=O)C1=COC(O)C2C1C=CC21C=C(C(=O)c2ccc(O)cc2)C(=O)O1| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 3 |
| MolWt: | 384.34 | Num_heavy_atoms: | 28 |
| TPSA: | 119.36 | NumAromaticRings: | 1 |
