Glycoside
GD133509
Name:
5a-({[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)-3-hydroxy-3,9-dimethyl-2H,3H,3aH,4H,5H,5aH,9aH,9bH-naphtho[1,2-b]furan-2-oneFormula:
C26H38O13Smiles:
CC1=CC=CC2(COC3OC(COC4OCC(O)(CO)C4O)C(O)C(O)C3O)CCC3C(OC(=O)C3(C)O)C12Aglycone:
CC1=CC=CC2(CO)CCC3C(OC(=O)C3(C)O)C12Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.81 |
| AlogP: | -2.53 | Num_rotatable_bonds: | 7 |
| MolWt: | 558.58 | Num_heavy_atoms: | 39 |
| TPSA: | 204.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD54032
Formula: C15H20O4
Smiles:
CC1=CC=CC2(CO)CCC3C(OC(=O)C3(C)O)C12| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 264.32 | Num_heavy_atoms: | 19 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
