Glycoside
GD156323
Name:
2,6,6-trimethyl-4-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}cyclohex-1-ene-1-carbaldehydeFormula:
C22H36O12Smiles:
CC1=C(C=O)C(C)(C)CC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C1Aglycone:
CC1=C(C=O)C(C)(C)CC(O)C1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.86 |
| AlogP: | -2.67 | Num_rotatable_bonds: | 7 |
| MolWt: | 492.52 | Num_heavy_atoms: | 34 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD60580
Formula: C10H16O2
Smiles:
CC1=C(C=O)C(C)(C)CC(O)C1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.7 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 1 |
| MolWt: | 168.24 | Num_heavy_atoms: | 12 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
