Glycoside
GD132004
Name:
8-(furan-3-yl)-10-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7,14-dioxatetracyclo[11.2.1.0²,¹¹.0âµ,¹â°]hexadec-2-ene-6,15-dioneFormula:
C25H30O11Smiles:
CC12CC(c3ccoc3)OC(=O)C1CC(OC1OC(CO)C(O)C(O)C1O)=C1C3CC(CC12)OC3=OAglycone:
CC12CC(c3ccoc3)OC(=O)C1CC(O)=C1C3CC(CC12)OC3=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.68 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 4 |
| MolWt: | 506.5 | Num_heavy_atoms: | 36 |
| TPSA: | 165.12 | NumAromaticRings: | 1 |
Unique Aglycone
AD53451
Formula: C19H20O6
Smiles:
CC12CC(c3ccoc3)OC(=O)C1CC(O)=C1C3CC(CC12)OC3=O| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.58 |
| AlogP: | 3.06 | Num_rotatable_bonds: | 1 |
| MolWt: | 344.36 | Num_heavy_atoms: | 25 |
| TPSA: | 85.97 | NumAromaticRings: | 1 |
