Glycoside
GD121990
Name:
9a-hydroxy-3,8a-dimethyl-5-methylidene-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H,4H,4aH,5H,6H,7H,8H,8aH,9H,9aH-naphtho[2,3-b]furan-2-oneFormula:
C21H30O9Smiles:
C=C1C(OC2OC(CO)C(O)C(O)C2O)CCC2(C)CC3(O)OC(=O)C(C)=C3CC12Aglycone:
C=C1C(O)CCC2(C)CC3(O)OC(=O)C(C)=C3CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.76 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 426.46 | Num_heavy_atoms: | 30 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD49129
Formula: C15H20O4
Smiles:
C=C1C(O)CCC2(C)CC3(O)OC(=O)C(C)=C3CC12| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 0 |
| MolWt: | 264.32 | Num_heavy_atoms: | 19 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
