Glycoside
GD155593
Name:
2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-({2-[4-(hydroxymethyl)cyclohex-3-en-1-yl]propan-2-yl}oxy)oxane-3,4,5-triolFormula:
C21H36O11Smiles:
CC(C)(OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O)C1CC=C(CO)CC1Aglycone:
CC(C)(O)C1CC=C(CO)CC1Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.9 |
| AlogP: | -2.23 | Num_rotatable_bonds: | 8 |
| MolWt: | 464.51 | Num_heavy_atoms: | 32 |
| TPSA: | 178.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD15501
Formula: C10H18O2
Smiles:
CC(C)(O)C1CC=C(CO)CC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 2 |
| MolWt: | 170.25 | Num_heavy_atoms: | 12 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
