Glycoside
GD115924
Name:
2-Acetyl-1,6,8-Trihydroxy-3-Methylnaphthalene; 6-Me Ether, 8-O-[β-D-Apiofuranosyl-(1->2)-β-D-Glucopyranoside]Formula:
C25H32O13Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2OC2OCC(O)(CO)C2O)c2c(O)c(C(C)=O)c(C)cc2c1Aglycone:
COc1cc(O)c2c(O)c(C(C)=O)c(C)cc2c1Sugarmoiety:
OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.56 |
| AlogP: | -1.29 | Num_rotatable_bonds: | 8 |
| MolWt: | 540.52 | Num_heavy_atoms: | 38 |
| TPSA: | 204.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD15787
Formula: C14H14O4
Smiles:
COc1cc(O)c2c(O)c(C(C)=O)c(C)cc2c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.21 |
| AlogP: | 2.77 | Num_rotatable_bonds: | 2 |
| MolWt: | 246.26 | Num_heavy_atoms: | 18 |
| TPSA: | 66.76 | NumAromaticRings: | 2 |
