Glycoside
GD122948
Name:
4-hydroxy-9-(hydroxymethyl)-6-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-oxatricyclo[4.3.0.0³,â¹]nonan-8-oneFormula:
C16H24O10Smiles:
CC12CC(O)C3CC1(OC1OC(CO)C(O)C(O)C1O)C3(CO)C(=O)O2Aglycone:
CC12CC(O)C3CC1(O)C3(CO)C(=O)O2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.94 |
| AlogP: | -3.38 | Num_rotatable_bonds: | 4 |
| MolWt: | 376.36 | Num_heavy_atoms: | 26 |
| TPSA: | 166.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD48015
Formula: C10H14O5
Smiles:
CC12CC(O)C3CC1(O)C3(CO)C(=O)O2| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | -1.2 | Num_rotatable_bonds: | 1 |
| MolWt: | 214.22 | Num_heavy_atoms: | 15 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
