Glycoside
GD141187
Name:
2-{[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]methyl}-9-({6-hydroxy-4,9-dimethyl-2-oxo-1,3,8-trioxaspiro[4.5]decan-7-yl}oxy)-3,8,10,12-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadec-14-ene-5,13-dioneFormula:
C37H58O15Smiles:
COC1C(OCC2C(C)OC(=O)CCC(C)C(OC3OC(C)CC4(OC(=O)OC4C)C3O)C(C)CC(C)C(=O)C=CC3OC32)OC(C)C(O)C1OCAglycone:
CC1CC2(OC(=O)OC2C)C(O)C(OC2C(C)CCC(=O)OC(C)C(CO)C3OC3C=CC(=O)C(C)CC2C)O1Sugarmoiety:
COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 2.85 | Num_rotatable_bonds: | 7 |
| MolWt: | 742.86 | Num_heavy_atoms: | 52 |
| TPSA: | 187.27 | NumAromaticRings: | 0 |
Unique Aglycone
AD56898
Formula: C29H44O11
Smiles:
CC1CC2(OC(=O)OC2C)C(O)C(OC2C(C)CCC(=O)OC(C)C(CO)C3OC3C=CC(=O)C(C)CC2C)O1| HBA: | 11 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 2.69 | Num_rotatable_bonds: | 3 |
| MolWt: | 568.66 | Num_heavy_atoms: | 40 |
| TPSA: | 150.35 | NumAromaticRings: | 0 |
