Glycoside
GD148899
Name:
4-(1-hydroxy-2,2,6-trimethyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl)but-3-en-2-oneFormula:
C19H32O8Smiles:
CC(=O)C=CC1(O)C(C)(C)CCCC1(C)OC1OC(CO)C(O)C(O)C1OAglycone:
CC(=O)C=CC1(O)C(C)(C)CCCC1(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.84 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 5 |
| MolWt: | 388.46 | Num_heavy_atoms: | 27 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD59563
Formula: C13H22O3
Smiles:
CC(=O)C=CC1(O)C(C)(C)CCCC1(C)O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.77 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 2 |
| MolWt: | 226.32 | Num_heavy_atoms: | 16 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
