Glycoside
GD155489
Name:
5-(3-hydroxy-3-methylbut-1-en-1-yl)-6-(propan-2-yl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohepta-2,4,6-trien-1-oneFormula:
C21H30O8Smiles:
CC(C)c1cc(=O)c(OC2OC(CO)C(O)C(O)C2O)ccc1C=CC(C)(C)OAglycone:
CC(C)c1cc(=O)c(O)ccc1C=CC(C)(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 6 |
| MolWt: | 410.46 | Num_heavy_atoms: | 29 |
| TPSA: | 136.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD61682
Formula: C15H20O3
Smiles:
CC(C)c1cc(=O)c(O)ccc1C=CC(C)(C)O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 2.66 | Num_rotatable_bonds: | 3 |
| MolWt: | 248.32 | Num_heavy_atoms: | 18 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
