Glycoside
GD133697
Name:
6-(hydroxymethyl)-10-methyl-3-methylidene-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-2-oneFormula:
C21H30O9Smiles:
C=C1C(=O)OC2C=C(C)C(OC3OC(CO)C(O)C(O)C3O)CC=C(CO)CCC12Aglycone:
C=C1C(=O)OC2C=C(C)C(O)CC=C(CO)CCC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -0.68 | Num_rotatable_bonds: | 4 |
| MolWt: | 426.46 | Num_heavy_atoms: | 30 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD49031
Formula: C15H20O4
Smiles:
C=C1C(=O)OC2C=C(C)C(O)CC=C(CO)CCC12| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.53 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 1 |
| MolWt: | 264.32 | Num_heavy_atoms: | 19 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
