Glycoside
GD140302
Name:
4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl 5-[2-(furan-3-yl)-2-oxoethyl]-1,4a-dimethyl-6-methylidene-decahydronaphthalene-1-carboxylateFormula:
C32H46O14Smiles:
C=C1CCC2C(C)(C(=O)OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)CCCC2(C)C1CC(=O)c1ccoc1Aglycone:
C=C1CCC2C(C)(C(=O)O)CCCC2(C)C1CC(=O)c1ccoc1Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.75 |
| AlogP: | -0.2 | Num_rotatable_bonds: | 9 |
| MolWt: | 654.71 | Num_heavy_atoms: | 46 |
| TPSA: | 225.81 | NumAromaticRings: | 1 |
Unique Aglycone
AD56572
Formula: C20H26O4
Smiles:
C=C1CCC2C(C)(C(=O)O)CCCC2(C)C1CC(=O)c1ccoc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 4.72 | Num_rotatable_bonds: | 4 |
| MolWt: | 330.42 | Num_heavy_atoms: | 24 |
| TPSA: | 67.51 | NumAromaticRings: | 1 |
