Glycoside
GD149999
Name:
7,8-dihydroxy-3,5a-dimethyl-9-methylidene-2-oxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-dodecahydronaphtho[1,2-b]furan-6-yl 2-methylbut-2-enoateFormula:
C26H38O12Smiles:
C=C1C(O)C(O)C(OC(=O)C(C)=CC)C2(C)CCC3C(OC(=O)C3(C)OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
C=C1C(O)C(O)C(OC(=O)C(C)=CC)C2(C)CCC3C(OC(=O)C3(C)O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.77 |
| AlogP: | -1.31 | Num_rotatable_bonds: | 5 |
| MolWt: | 542.58 | Num_heavy_atoms: | 38 |
| TPSA: | 192.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD59948
Formula: C20H28O7
Smiles:
C=C1C(O)C(O)C(OC(=O)C(C)=CC)C2(C)CCC3C(OC(=O)C3(C)O)C12| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.7 |
| AlogP: | 0.86 | Num_rotatable_bonds: | 2 |
| MolWt: | 380.44 | Num_heavy_atoms: | 27 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
