Glycoside
GD146892
Name:
2-(2-hydroxy-6-{[9-hydroxy-2-(5'-{6-hydroxy-4-[(5-methoxy-6-methyloxan-2-yl)oxy]-3,5,6-trimethyloxan-2-yl}-[2,2'-bioxolan]-5-yl)-3-methoxy-2,4,10-trimethyl-1,6-dioxaspiro[4.5]decan-7-yl]methyl}-4,5-dimethoxy-3,5-dimethyloxan-2-yl)propanoic acidFormula:
C48H82O17Smiles:
COC1CCC(OC2C(C)C(C3CCC(C4CCC(C5(C)OC6(OC(CC7OC(O)(C(C)C(=O)O)C(C)C(OC)C7(C)OC)CC(O)C6C)C(C)C5OC)O4)O3)OC(C)(O)C2C)OC1CAglycone:
CCC(=O)O.COC1CCC(OC2C(C)C(C3CCC(C4CCC(C5(C)OC6(OC(C)CC(O)C6C)C(C)C5OC)O4)O3)OC(C)(O)C2C)OC1CSugarmoiety:
COC1C(C)C(O)(O)OC(O)C1(C)OCOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.98 |
| AlogP: | 4.56 | Num_rotatable_bonds: | 13 |
| MolWt: | 931.17 | Num_heavy_atoms: | 65 |
| TPSA: | 208.75 | 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 |
AD58860
Formula: C36H62O11
Smiles:
COC1CCC(OC2C(C)C(C3CCC(C4CCC(C5(C)OC6(OC(C)CC(O)C6C)C(C)C5OC)O4)O3)OC(C)(O)C2C)OC1C| HBA: | 11 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 4.33 | Num_rotatable_bonds: | 7 |
| MolWt: | 670.88 | Num_heavy_atoms: | 47 |
| TPSA: | 123.53 | NumAromaticRings: | 0 |
