Glycoside
GD149478
Name:
2-Acetyl-1,6,8-Trihydroxy-3-Methylnaphthalene; 6-Me Ether, 8-O-[β-D-Glucopyranosyl-(1->6)-β-D-Glucopyranosyl-(1->3)-β-D-Glucopyranosyl-(1->6)-β-D-Glucopyranoside]Formula:
C38H54O24Smiles:
COc1cc(OC2OC(COC3OC(CO)C(O)C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C3O)C(O)C(O)C2O)c2c(O)c(C(C)=O)c(C)cc2c1Aglycone:
COc1cc(O)c2c(O)c(C(C)=O)c(C)cc2c1Sugarmoiety:
OCC1OC(OCC2OC(OC3C(O)C(CO)OC(OCC4OC(O)C(O)C(O)C4O)C3O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 6 |
| HBD: | 14 | FractionCSP3: | 0.71 |
| AlogP: | -6.28 | Num_rotatable_bonds: | 14 |
| MolWt: | 894.83 | Num_heavy_atoms: | 62 |
| TPSA: | 383.36 | 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 |
