Glycoside
GD144367
Name:
6-(hydroxymethyl)-3-methyl-9-methylidene-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H,3H,3aH,6H,6aH,7H,8H,9H,9aH,9bH-azuleno[4,5-b]furan-2-oneFormula:
C21H30O9Smiles:
C=C1CCC2C1C1OC(=O)C(C)C1C=CC2(CO)OC1OC(CO)C(O)C(O)C1OAglycone:
C=C1CCC2C1C1OC(=O)C(C)C1C=CC2(O)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.76 |
| AlogP: | -1.14 | Num_rotatable_bonds: | 4 |
| MolWt: | 426.46 | Num_heavy_atoms: | 30 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD58021
Formula: C15H20O4
Smiles:
C=C1CCC2C1C1OC(=O)C(C)C1C=CC2(O)CO| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 264.32 | Num_heavy_atoms: | 19 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
