Glycoside
GD128975
Name:
3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl 2,6,6-trimethylcyclohex-1-ene-1-carboxylateFormula:
C21H34O11Smiles:
CC1=C(C(=O)OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)C(C)(C)CCC1Aglycone:
CC1=C(C(=O)O)C(C)(C)CCC1Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | -1.68 | Num_rotatable_bonds: | 5 |
| MolWt: | 462.49 | Num_heavy_atoms: | 32 |
| TPSA: | 175.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD19885
Formula: C10H16O2
Smiles:
CC1=C(C(=O)O)C(C)(C)CCC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.7 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 1 |
| MolWt: | 168.24 | Num_heavy_atoms: | 12 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
