Glycoside
GD145185
Name:
Matteucinol 7-O-Beta-D-Apiofuranosyl(1->6)-Beta-D-GlucopyranosideFormula:
C29H36O14Smiles:
COc1ccc(C2CC(=O)c3c(O)c(C)c(OC4OC(COC5OCC(O)(CO)C5O)C(O)C(O)C4O)c(C)c3O2)cc1Aglycone:
COc1ccc(C2CC(=O)c3c(O)c(C)c(O)c(C)c3O2)cc1Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.55 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 8 |
| MolWt: | 608.59 | Num_heavy_atoms: | 43 |
| TPSA: | 214.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD19157
Formula: C18H18O5
Smiles:
COc1ccc(C2CC(=O)c3c(O)c(C)c(O)c(C)c3O2)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.28 |
| AlogP: | 3.43 | Num_rotatable_bonds: | 2 |
| MolWt: | 314.34 | Num_heavy_atoms: | 23 |
| TPSA: | 75.99 | NumAromaticRings: | 2 |
