Glycoside
GD115079
Name:
8-hydroxy-3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4-tetrahydronaphthalen-1-oneFormula:
C17H22O8Smiles:
CC1CC(=O)c2c(O)cccc2C1OC1OC(CO)C(O)C(O)C1OAglycone:
CC1CC(=O)c2c(O)cccc2C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 3 |
| MolWt: | 354.36 | Num_heavy_atoms: | 25 |
| TPSA: | 136.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD45459
Formula: C11H12O3
Smiles:
CC1CC(=O)c2c(O)cccc2C1O| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 192.21 | Num_heavy_atoms: | 14 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
