Glycoside
GD130675
Name:
9-({[6-({[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)-3,6-dimethyl-2H,3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-2,7-dioneFormula:
C27H38O14Smiles:
CC1=C2C(=O)C=C(COC3OC(COC4(CO)OC(CO)C(O)C4O)C(O)C(O)C3O)C2C2OC(=O)C(C)C2CC1Aglycone:
CC1=C2C(=O)C=C(CO)C2C2OC(=O)C(C)C2CC1Sugarmoiety:
OCC1OC(CO)(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.78 |
| AlogP: | -2.96 | Num_rotatable_bonds: | 8 |
| MolWt: | 586.59 | Num_heavy_atoms: | 41 |
| TPSA: | 221.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD38080
Formula: C15H18O4
Smiles:
CC1=C2C(=O)C=C(CO)C2C2OC(=O)C(C)C2CC1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 1 |
| MolWt: | 262.31 | Num_heavy_atoms: | 19 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
