Glycoside
GD135542
Name:
10-({[3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-5-hydroxy-5-(hydroxymethyl)-3,8-dioxatricyclo[4.4.0.0²,â´]dec-9-en-7-yl 3-methylbutanoateFormula:
C21H32O11Smiles:
CC(C)CC(=O)OC1OC=C(COC2OC(CO)CC(O)C2O)C2C3OC3C(O)(CO)C12Aglycone:
CC(C)CC(=O)OC1OC=C(CO)C2C3OC3C(O)(CO)C12Sugarmoiety:
OCC1CC(O)C(O)C(O)O1Other Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | -1.6 | Num_rotatable_bonds: | 8 |
| MolWt: | 460.48 | Num_heavy_atoms: | 32 |
| TPSA: | 167.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD47282
Formula: C15H22O7
Smiles:
CC(C)CC(=O)OC1OC=C(CO)C2C3OC3C(O)(CO)C12| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | -0.46 | Num_rotatable_bonds: | 5 |
| MolWt: | 314.33 | Num_heavy_atoms: | 22 |
| TPSA: | 108.75 | NumAromaticRings: | 0 |
