Glycoside
GD138463
Name:
6-(hydroxymethyl)-3-methyl-9-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2H,3H,3aH,4H,5H,9bH-azuleno[4,5-b]furan-2-oneFormula:
C21H28O9Smiles:
CC1C(=O)OC2C3=C(COC4OC(CO)C(O)C(O)C4O)C=CC3=C(CO)CCC12Aglycone:
CC1C(=O)OC2C3=C(CO)C=CC3=C(CO)CCC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -1.07 | Num_rotatable_bonds: | 5 |
| MolWt: | 424.45 | Num_heavy_atoms: | 30 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD55886
Formula: C15H18O4
Smiles:
CC1C(=O)OC2C3=C(CO)C=CC3=C(CO)CCC12| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.53 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 262.3 | Num_heavy_atoms: | 19 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
