Glycoside
GD007369
Name:
NoneFormula:
C28H38O13Smiles:
CC=C1[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(=O)OCCCc1ccc(OC)c(OC)c1Aglycone:
CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OCCCc1ccc(OC)c(OC)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 12 |
| MolWt: | 582.6 | Num_heavy_atoms: | 41 |
| TPSA: | 179.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD06008
Formula: C22H28O8
Smiles:
CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OCCCc1ccc(OC)c(OC)c1| HBA: | 8 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.45 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 9 |
| MolWt: | 420.46 | Num_heavy_atoms: | 30 |
| TPSA: | 100.52 | NumAromaticRings: | 1 |
