Glycoside
GD004080
Name:
JULICHROME Q 6 GLUCURONIDEFormula:
C25H28O12Smiles:
CC(=O)O[C@H](C)[C@@H]1c2cc3cccc(O[C@@H]4O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]4O)c3c(O)c2C(=O)C[C@]1(C)OAglycone:
CC(=O)OC(C)C1c2cc3cccc(O)c3c(O)c2C(=O)CC1(C)OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | 0.19 | Num_rotatable_bonds: | 5 |
| MolWt: | 520.49 | Num_heavy_atoms: | 37 |
| TPSA: | 200.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD03617
Formula: C19H20O6
Smiles:
CC(=O)OC(C)C1c2cc3cccc(O)c3c(O)c2C(=O)CC1(C)O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.37 |
| AlogP: | 2.62 | Num_rotatable_bonds: | 2 |
| MolWt: | 344.36 | Num_heavy_atoms: | 25 |
| TPSA: | 104.06 | NumAromaticRings: | 2 |
