Glycoside
GD139629
Name:
(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 5-[2-(furan-3-yl)ethyl]-7,8-dihydroxy-5,6,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylateFormula:
C33H44O11Smiles:
CC1C(O)C(O)C2(C)C(C(=O)OCc3ccccc3OC3OC(CO)C(O)C(O)C3O)=CCCC2C1(C)CCc1ccoc1Aglycone:
CC1C(O)C(O)C2(C)C(C(=O)OCc3ccccc3O)=CCCC2C1(C)CCc1ccoc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.61 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 9 |
| MolWt: | 616.7 | Num_heavy_atoms: | 44 |
| TPSA: | 179.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD56304
Formula: C27H34O6
Smiles:
CC1C(O)C(O)C2(C)C(C(=O)OCc3ccccc3O)=CCCC2C1(C)CCc1ccoc1| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.52 |
| AlogP: | 4.38 | Num_rotatable_bonds: | 6 |
| MolWt: | 454.56 | Num_heavy_atoms: | 33 |
| TPSA: | 100.13 | NumAromaticRings: | 2 |
