Glycoside
GD134954
Name:
4-(propan-2-yl)-2-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}cyclohepta-2,4,6-trien-1-oneFormula:
C22H32O12Smiles:
CC(C)c1cccc(=O)c(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)c1Aglycone:
CC(C)c1cccc(=O)c(O)c1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.68 |
| AlogP: | -2.83 | Num_rotatable_bonds: | 7 |
| MolWt: | 488.49 | Num_heavy_atoms: | 34 |
| TPSA: | 195.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD51336
Formula: C10H12O2
Smiles:
CC(C)c1cccc(=O)c(O)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 164.2 | Num_heavy_atoms: | 12 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
