Glycoside
GD133107
Name:
3-[2-(2,5,5,8a-tetramethyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)ethylidene]-2,3-dihydrofuran-2-oneFormula:
C26H38O8Smiles:
CC1=C(CC=C2C=COC2=O)C2(C)CCC(OC3OC(CO)C(O)C(O)C3O)C(C)(C)C2CC1Aglycone:
CC1=C(CC=C2C=COC2=O)C2(C)CCC(O)C(C)(C)C2CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 478.58 | Num_heavy_atoms: | 34 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD53888
Formula: C20H28O3
Smiles:
CC1=C(CC=C2C=COC2=O)C2(C)CCC(O)C(C)(C)C2CC1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.65 |
| AlogP: | 4.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 316.44 | Num_heavy_atoms: | 23 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
