Glycoside
GD147742
Name:
7,11-dihydroxy-6-(hydroxymethyl)-2,7-dimethyl-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-9-oxatricyclo[6.3.1.0¹,âµ]dodec-4-en-10-oneFormula:
C21H32O11Smiles:
CC1CC=C2C13CC(OC(=O)C3O)C(C)(O)C2(CO)COC1OC(CO)C(O)C(O)C1OAglycone:
CC1CC=C2C13CC(OC(=O)C3O)C(C)(O)C2(CO)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.86 |
| AlogP: | -2.82 | Num_rotatable_bonds: | 5 |
| MolWt: | 460.48 | Num_heavy_atoms: | 32 |
| TPSA: | 186.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD59157
Formula: C15H22O6
Smiles:
CC1CC=C2C13CC(OC(=O)C3O)C(C)(O)C2(CO)CO| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 2 |
| MolWt: | 298.34 | Num_heavy_atoms: | 21 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
