Glycoside
GD114960
Name:
2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-{[2-hydroxy-2-methyl-5-(prop-1-en-2-yl)cyclohexyl]oxy}oxane-3,4,5-triolFormula:
C21H36O11Smiles:
C=C(C)C1CCC(C)(O)C(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)C1Aglycone:
C=C(C)C1CCC(C)(O)C(O)C1Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.9 |
| AlogP: | -2.24 | Num_rotatable_bonds: | 7 |
| MolWt: | 464.51 | Num_heavy_atoms: | 32 |
| TPSA: | 178.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD45382
Formula: C10H18O2
Smiles:
C=C(C)C1CCC(C)(O)C(O)C1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 170.25 | Num_heavy_atoms: | 12 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
