Glycoside
GD118684
Name:
9-methyl-6-methylidene-2-oxo-4-(piperidin-3-yloxy)-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H,3H,3aH,4H,5H,6H,6aH,7H,9aH,9bH-azuleno[4,5-b]furan-3-carboxylic acidFormula:
C26H37O11NSmiles:
C=C1CC(OC2CCCNC2)C2C(C(=O)O)C(=O)OC2C2C(C)=C(OC3OC(CO)C(O)C(O)C3O)CC12Aglycone:
C=C1CC(OC2CCCNC2)C2C(C(=O)O)C(=O)OC2C2C(C)=C(O)CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.77 |
| AlogP: | -0.95 | Num_rotatable_bonds: | 6 |
| MolWt: | 539.58 | Num_heavy_atoms: | 38 |
| TPSA: | 184.24 | NumAromaticRings: | 0 |
Unique Aglycone
AD47480
Formula: C20H27O6N
Smiles:
C=C1CC(OC2CCCNC2)C2C(C(=O)O)C(=O)OC2C2C(C)=C(O)CC12| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.7 |
| AlogP: | 1.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 377.44 | Num_heavy_atoms: | 27 |
| TPSA: | 105.09 | NumAromaticRings: | 0 |
