Glycoside
GD150580
Name:
2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-{[2-(4-methylcyclohex-3-en-1-yl)propan-2-yl]oxy}oxane-3,4,5-triolFormula:
C21H36O10Smiles:
CC1=CCC(C(C)(C)OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)CC1Aglycone:
CC1=CCC(C(C)(C)O)CC1Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.9 |
| AlogP: | -1.21 | Num_rotatable_bonds: | 7 |
| MolWt: | 448.51 | Num_heavy_atoms: | 31 |
| TPSA: | 158.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD02252
Formula: C10H18O
Smiles:
CC1=CCC(C(C)(C)O)CC1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 2.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 154.25 | Num_heavy_atoms: | 11 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
