Glycoside
GD137046
Name:
5a,9-dimethyl-3-methylidene-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9bH-naphtho[1,2-b]furan-2-oneFormula:
C21H30O8Smiles:
C=C1C(=O)OC2C3=C(C)C(OC4OC(CO)C(O)C(O)C4O)CCC3(C)CCC12Aglycone:
C=C1C(=O)OC2C3=C(C)C(O)CCC3(C)CCC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.76 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 3 |
| MolWt: | 410.46 | Num_heavy_atoms: | 29 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD55386
Formula: C15H20O3
Smiles:
C=C1C(=O)OC2C3=C(C)C(O)CCC3(C)CCC12| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 2.36 | Num_rotatable_bonds: | 0 |
| MolWt: | 248.32 | Num_heavy_atoms: | 18 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
