Glycoside
GD143672
Name:
4-hydroxy-3,4,5-trimethyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H,5H,6H,7H,8H,9H-naphtho[2,3-b]furan-9-oneFormula:
C21H28O9Smiles:
Cc1coc2c1C(C)(O)C1=C(CCC(OC3OC(CO)C(O)C(O)C3O)C1C)C2=OAglycone:
Cc1coc2c1C(C)(O)C1=C(CCC(O)C1C)C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -0.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 424.45 | Num_heavy_atoms: | 30 |
| TPSA: | 149.82 | NumAromaticRings: | 1 |
Unique Aglycone
AD57771
Formula: C15H18O4
Smiles:
Cc1coc2c1C(C)(O)C1=C(CCC(O)C1C)C2=O| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.53 |
| AlogP: | 2.08 | Num_rotatable_bonds: | 0 |
| MolWt: | 262.3 | Num_heavy_atoms: | 19 |
| TPSA: | 70.67 | NumAromaticRings: | 1 |
