Glycoside
GD010229
Name:
2-[2-hydroxy-6-({2-[5'-(6-hydroxy-4-methoxy-3,5,6-trimethyloxan-2-yl)-[2,2'-bioxolan]-5-yl]-3,9-dimethoxy-2,4,10-trimethyl-1,6-dioxaspiro[4.5]decan-7-yl}methyl)-5-methoxy-4-[(5-methoxy-6-methyloxan-2-yl)oxy]-3,5-dimethyloxan-2-yl]propanoic acidFormula:
C49H84O17Smiles:
CO[C@H]1C[C@@H](C[C@H]2O[C@@](O)([C@H](C)C(=O)O)[C@@H](C)[C@@H](O[C@H]3CC[C@@H](OC)[C@H](C)O3)[C@@]2(C)OC)O[C@]2(O[C@](C)([C@@H]3CC[C@H]([C@@H]4CC[C@H]([C@@H]5O[C@@](C)(O)[C@H](C)[C@H](OC)[C@H]5C)O4)O3)[C@H](OC)[C@H]2C)[C@H]1CAglycone:
CCC(=O)O.COC1CC(C)OC2(OC(C)(C3CCC(C4CCC(C5OC(C)(O)C(C)C(OC)C5C)O4)O3)C(OC)C2C)C1C.COC1CCC(O)OC1CSugarmoiety:
COC1(C)C(O)OC(O)(O)C(C)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.98 |
| AlogP: | 5.22 | Num_rotatable_bonds: | 14 |
| MolWt: | 945.19 | Num_heavy_atoms: | 66 |
| TPSA: | 197.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD00155
Formula: C3H6O2
Smiles:
CCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 1 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD02921
Formula: C7H14O3
Smiles:
COC1CCC(O)OC1C| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 1 |
| MolWt: | 146.19 | Num_heavy_atoms: | 10 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
AD07939
Formula: C31H54O9
Smiles:
COC1CC(C)OC2(OC(C)(C3CCC(C4CCC(C5OC(C)(O)C(C)C(OC)C5C)O4)O3)C(OC)C2C)C1C| HBA: | 9 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 4.07 | Num_rotatable_bonds: | 6 |
| MolWt: | 570.76 | Num_heavy_atoms: | 40 |
| TPSA: | 94.07 | NumAromaticRings: | 0 |
