Glycoside
GD118525
Name:
5-(4-hydroxy-2,2,6-trimethyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexylidene)pent-3-en-2-oneFormula:
C20H32O8Smiles:
CC(=O)C=CC=C1C(C)(C)CC(O)CC1(C)OC1OC(CO)C(O)C(O)C1OAglycone:
CC(=O)C=CC=C1C(C)(C)CC(O)CC1(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.75 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 5 |
| MolWt: | 400.47 | Num_heavy_atoms: | 28 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD47406
Formula: C14H22O3
Smiles:
CC(=O)C=CC=C1C(C)(C)CC(O)CC1(C)O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.64 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 2 |
| MolWt: | 238.33 | Num_heavy_atoms: | 17 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
