Glycoside
GD123642
Name:
methyl 5-{2,5,5,8a-tetramethyl-6-[(3-methylbut-2-enoyl)oxy]-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl}-3-methylpentanoateFormula:
C32H52O9Smiles:
COC(=O)CC(C)CCC1C(C)=CCC2C(C)(C)C(OC(=O)C=C(C)C)C(OC3OC(C)C(O)C(O)C3O)CC12CAglycone:
COC(=O)CC(C)CCC1C(C)=CCC2C(C)(C)C(OC(=O)C=C(C)C)C(O)CC12CSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.81 |
| AlogP: | 4.08 | Num_rotatable_bonds: | 9 |
| MolWt: | 580.76 | Num_heavy_atoms: | 41 |
| TPSA: | 131.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD49915
Formula: C26H42O5
Smiles:
COC(=O)CC(C)CCC1C(C)=CCC2C(C)(C)C(OC(=O)C=C(C)C)C(O)CC12C| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.77 |
| AlogP: | 5.22 | Num_rotatable_bonds: | 7 |
| MolWt: | 434.62 | Num_heavy_atoms: | 31 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
