Glycoside
GD141619
Name:
8-C-Beta-D-Xylopyranosylchrysoeriol 4'-O-Acetyl 2''-O-GlucosideFormula:
C29H32O16Smiles:
COc1cc(-c2cc(=O)c3c(O)cc(O)c(C4OCC(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)c3o2)ccc1OC(C)=OAglycone:
COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc1OC(C)=OSugarmoiety:
OCC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.45 |
| AlogP: | -1.22 | Num_rotatable_bonds: | 7 |
| MolWt: | 636.56 | Num_heavy_atoms: | 45 |
| TPSA: | 255.27 | NumAromaticRings: | 3 |
Unique Aglycone
AD57044
Formula: C18H14O7
Smiles:
COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc1OC(C)=O| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 3 |
| MolWt: | 342.3 | Num_heavy_atoms: | 25 |
| TPSA: | 106.2 | NumAromaticRings: | 3 |
