Glycoside
GD157080
Name:
8-hydroxy-2-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,4-dihydronaphthalene-1,4-dioneFormula:
C17H18O9Smiles:
CC1=CC(=O)c2c(OC3OC(CO)C(O)C(O)C3O)ccc(O)c2C1=OAglycone:
CC1=CC(=O)c2c(O)ccc(O)c2C1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 366.32 | Num_heavy_atoms: | 26 |
| TPSA: | 153.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD62140
Formula: C11H8O4
Smiles:
CC1=CC(=O)c2c(O)ccc(O)c2C1=O| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.09 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 0 |
| MolWt: | 204.18 | Num_heavy_atoms: | 15 |
| TPSA: | 74.6 | NumAromaticRings: | 1 |
