Glycoside
GD136880
Name:
3,8-dimethyl-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2H,3H,3aH,7H,7aH,8H,9H,9aH-azuleno[6,5-b]furan-2,7-dioneFormula:
C21H28O9Smiles:
CC1CC2OC(=O)C(C)C2C=C2C(COC3OC(CO)C(O)C(O)C3O)=CC(=O)C21Aglycone:
CC1CC2OC(=O)C(C)C2C=C2C(CO)=CC(=O)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 4 |
| MolWt: | 424.45 | Num_heavy_atoms: | 30 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD55322
Formula: C15H18O4
Smiles:
CC1CC2OC(=O)C(C)C2C=C2C(CO)=CC(=O)C21| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 1 |
| MolWt: | 262.3 | Num_heavy_atoms: | 19 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
