Glycoside
GD128481
Name:
2-{[4-(2,4-dihydroxy-2,6,6-trimethylcyclohexylidene)but-3-en-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C19H32O8Smiles:
CC(C=C=C1C(C)(C)CC(O)CC1(C)O)OC1OC(CO)C(O)C(O)C1OAglycone:
CC(O)C=C=C1C(C)(C)CC(O)CC1(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.84 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 4 |
| MolWt: | 388.46 | Num_heavy_atoms: | 27 |
| TPSA: | 139.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD52043
Formula: C13H22O3
Smiles:
CC(O)C=C=C1C(C)(C)CC(O)CC1(C)O| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.77 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 226.32 | Num_heavy_atoms: | 16 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
