Glycoside
GD131548
Name:
3,6,9-trimethyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2H,3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-2,7-dioneFormula:
C20H26O8Smiles:
CC1=CC(=O)C2=C(C)C(OC3OCC(O)C(O)C3O)CC3C(C)C(=O)OC3C12Aglycone:
CC1=CC(=O)C2=C(C)C(O)CC3C(C)C(=O)OC3C12Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.7 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 2 |
| MolWt: | 394.42 | Num_heavy_atoms: | 28 |
| TPSA: | 122.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD53289
Formula: C15H18O4
Smiles:
CC1=CC(=O)C2=C(C)C(O)CC3C(C)C(=O)OC3C12| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 0 |
| MolWt: | 262.3 | Num_heavy_atoms: | 19 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
