Glycoside
GD146792
Name:
2-(2-hydroxy-6-{[2-(5-{[1-(6-hydroxy-4-methoxy-3,5,6-trimethyloxan-2-yl)butoxy]methyl}oxolan-2-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:
C50H88O17Smiles:
CCCC(OCC1CCC(C2(C)OC3(OC(CC4OC(O)(C(C)C(=O)O)C(C)C(OC5CCC(OC)C(C)O5)C4(C)OC)CC(OC)C3C)C(C)C2OC)O1)C1OC(C)(O)C(C)C(OC)C1CAglycone:
CCC(=O)O.CCCC(OCC1CCC(C2(C)OC3(OC(C)CC(OC)C3C)C(C)C2OC)O1)C1OC(C)(O)C(C)C(OC)C1C.COC1CCC(O)OC1CSugarmoiety:
COC1(C)C(O)OC(O)(O)C(C)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.98 |
| AlogP: | 5.85 | Num_rotatable_bonds: | 18 |
| MolWt: | 961.24 | Num_heavy_atoms: | 67 |
| 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 |
AD58836
Formula: C32H58O9
Smiles:
CCCC(OCC1CCC(C2(C)OC3(OC(C)CC(OC)C3C)C(C)C2OC)O1)C1OC(C)(O)C(C)C(OC)C1C| HBA: | 9 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 4.71 | Num_rotatable_bonds: | 10 |
| MolWt: | 586.81 | Num_heavy_atoms: | 41 |
| TPSA: | 94.07 | NumAromaticRings: | 0 |
