Glycoside
GD154662
Name:
2-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4-tetrahydronaphthalene-1,4-dioneFormula:
C17H20O8Smiles:
CC1CC(=O)c2c(OC3OC(CO)C(O)C(O)C3O)cccc2C1=OAglycone:
CC1CC(=O)c2c(O)cccc2C1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -0.73 | Num_rotatable_bonds: | 3 |
| MolWt: | 352.34 | Num_heavy_atoms: | 25 |
| TPSA: | 133.52 | NumAromaticRings: | 1 |
Unique Aglycone
AD61405
Formula: C11H10O3
Smiles:
CC1CC(=O)c2c(O)cccc2C1=O| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.27 |
| AlogP: | 1.8 | Num_rotatable_bonds: | 0 |
| MolWt: | 190.2 | Num_heavy_atoms: | 14 |
| TPSA: | 54.37 | NumAromaticRings: | 1 |
