Glycoside
GD147525
Name:
2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-{[2-(5-ethenyl-5-methyloxolan-2-yl)propan-2-yl]oxy}oxane-3,4,5-triolFormula:
C21H36O11Smiles:
C=CC1(C)CCC(C(C)(C)OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)O1Aglycone:
C=CC1(C)CCC(C(C)(C)O)O1Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.9 |
| AlogP: | -1.83 | Num_rotatable_bonds: | 8 |
| MolWt: | 464.51 | Num_heavy_atoms: | 32 |
| TPSA: | 167.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD47804
Formula: C10H18O2
Smiles:
C=CC1(C)CCC(C(C)(C)O)O1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 170.25 | Num_heavy_atoms: | 12 |
| TPSA: | 29.46 | NumAromaticRings: | 0 |
