Glycoside
GD121472
Name:
2-{[4-(1,4-dihydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]oxy}-6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4,5-triolFormula:
C24H40O12Smiles:
CC1=CC(O)CC(C)(C)C1(O)C=CC(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1OAglycone:
CC1=CC(O)CC(C)(C)C1(O)C=CC(C)OSugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.83 |
| AlogP: | -2.32 | Num_rotatable_bonds: | 8 |
| MolWt: | 520.57 | Num_heavy_atoms: | 36 |
| TPSA: | 198.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD48901
Formula: C13H22O3
Smiles:
CC1=CC(O)CC(C)(C)C1(O)C=CC(C)O| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.69 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 226.32 | Num_heavy_atoms: | 16 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
