Glycoside
GD150896
Name:
2-{6-[1-(2-{3'-[(3,4-dimethoxy-6-methyloxan-2-yl)oxy]-5'-(6-hydroxy-3,5,6-trimethyloxan-2-yl)-2-methyl-[2,2'-bioxolan]-5-yl}-9-hydroxy-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl)ethyl]-2-hydroxy-4,5-dimethoxy-3-methyloxan-2-yl}acetic acidFormula:
C47H80O17Smiles:
COC1CC(C)OC(OC2CC(C3OC(C)(O)C(C)CC3C)OC2C2(C)CCC(C3(C)CCC4(CC(O)C(C)C(C(C)C5OC(O)(CC(=O)O)C(C)C(OC)C5OC)O4)O3)O2)C1OCAglycone:
CCC1OC2(CCC(C)(C3CCC(C)(C4OC(C5OC(C)(O)C(C)CC5C)CC4O)O3)O2)CC(O)C1CSugarmoiety:
COC1C(O)OC(O)(CC(=O)O)C(C)C1OC.COC1CC(C)OC(O)C1OCOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.98 |
| AlogP: | 4.32 | Num_rotatable_bonds: | 13 |
| MolWt: | 917.14 | Num_heavy_atoms: | 64 |
| TPSA: | 208.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD02346
Formula: C29H50O8
Smiles:
CCC1OC2(CCC(C)(C3CCC(C)(C4OC(C5OC(C)(O)C(C)CC5C)CC4O)O3)O2)CC(O)C1C| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 3.67 | Num_rotatable_bonds: | 4 |
| MolWt: | 526.71 | Num_heavy_atoms: | 37 |
| TPSA: | 106.84 | NumAromaticRings: | 0 |
