Glycoside
GD123584
Name:
2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-{[7-(hydroxymethyl)-1,7-dimethylbicyclo[2.2.1]heptan-2-yl]oxy}oxane-3,4,5-triolFormula:
C21H36O11Smiles:
CC1(CO)C2CCC1(C)C(OC1OC(COC3OCC(O)(CO)C3O)C(O)C(O)C1O)C2Aglycone:
CC12CCC(CC1O)C2(C)COSugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -2.54 | Num_rotatable_bonds: | 7 |
| MolWt: | 464.51 | Num_heavy_atoms: | 32 |
| TPSA: | 178.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD49890
Formula: C10H18O2
Smiles:
CC12CCC(CC1O)C2(C)CO| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 1 |
| MolWt: | 170.25 | Num_heavy_atoms: | 12 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
