Glycoside
GD140337
Name:
5-(5-hydroxy-3-methylpent-3-en-1-yl)-1,1,4a,6-tetramethyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-yl 2-methylbut-2-enoateFormula:
C31H50O9Smiles:
CC=C(C)C(=O)OC1C(OC2OC(CO)C(O)C(O)C2O)CC2(C)C(CCC(C)=CCO)C(C)=CCC2C1(C)CAglycone:
CC=C(C)C(=O)OC1C(O)CC2(C)C(CCC(C)=CCO)C(C)=CCC2C1(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.77 |
| AlogP: | 2.79 | Num_rotatable_bonds: | 9 |
| MolWt: | 566.73 | Num_heavy_atoms: | 40 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD44913
Formula: C25H40O4
Smiles:
CC=C(C)C(=O)OC1C(O)CC2(C)C(CCC(C)=CCO)C(C)=CCC2C1(C)C| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.72 |
| AlogP: | 4.96 | Num_rotatable_bonds: | 6 |
| MolWt: | 404.59 | Num_heavy_atoms: | 29 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
