Glycoside
GD136862
Name:
6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl 5,6,8a-trimethyl-5-[2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl]-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylateFormula:
C31H46O13Smiles:
CC1CCC2(C)C(C(=O)OC3OC(COC4OCC(O)(CO)C4O)C(O)C(O)C3O)=CCCC2C1(C)CCC1=CC(=O)OC1Aglycone:
CC1CCC2(C)C(C(=O)O)=CCCC2C1(C)CCC1=CC(=O)OC1Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.81 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 9 |
| MolWt: | 626.7 | Num_heavy_atoms: | 44 |
| TPSA: | 201.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD54532
Formula: C20H28O4
Smiles:
CC1CCC2(C)C(C(=O)O)=CCCC2C1(C)CCC1=CC(=O)OC1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.7 |
| AlogP: | 4.11 | Num_rotatable_bonds: | 4 |
| MolWt: | 332.44 | Num_heavy_atoms: | 24 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
