Glycoside
GD129245
Name:
2-[6-({2-[5'-(4,6-dihydroxy-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)-2-hydroxy-4-methoxy-5-[(5-methoxy-6-methyloxan-2-yl)oxy]-3,5-dimethyloxan-2-yl]propanoic acidFormula:
C48H82O17Smiles:
COC1CCC(OC2(C)C(CC3CC(OC)C(C)C4(O3)OC(C)(C3CCC(C5CCC(C6OC(C)(O)C(C)C(O)C6C)O5)O3)C(OC)C4C)OC(O)(C(C)C(=O)O)C(C)C2OC)OC1CAglycone:
CCC(=O)O.COC1CC(C)OC2(OC(C)(C3CCC(C4CCC(C5OC(C)(O)C(C)C(O)C5C)O4)O3)C(OC)C2C)C1C.COC1CCC(O)OC1CSugarmoiety:
COC1CC(O)(O)OC(O)C1(C)OOther 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 |
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 |
AD52359
Formula: C30H52O9
Smiles:
COC1CC(C)OC2(OC(C)(C3CCC(C4CCC(C5OC(C)(O)C(C)C(O)C5C)O4)O3)C(OC)C2C)C1C| HBA: | 9 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 3.42 | Num_rotatable_bonds: | 5 |
| MolWt: | 556.74 | Num_heavy_atoms: | 39 |
| TPSA: | 105.07 | NumAromaticRings: | 0 |
