Glycoside
GD121760
Name:
5,8-dimethyl-3-methylidene-2-oxo-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H,3H,3aH,4H,4aH,5H,6H,7H,7aH,9aH-azuleno[6,5-b]furan-4-yl acetateFormula:
C23H32O10Smiles:
C=C1C(=O)OC2C=C(C)C3CCC(C)(OC4OC(CO)C(O)C(O)C4O)C3C(OC(C)=O)C12Aglycone:
C=C1C(=O)OC2C=C(C)C3CCC(C)(O)C3C(OC(C)=O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.74 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 4 |
| MolWt: | 468.5 | Num_heavy_atoms: | 33 |
| TPSA: | 151.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD49027
Formula: C17H22O5
Smiles:
C=C1C(=O)OC2C=C(C)C3CCC(C)(O)C3C(OC(C)=O)C12| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.65 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 1 |
| MolWt: | 306.36 | Num_heavy_atoms: | 22 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
