Glycoside
GD157690
Name:
2-[(2-{[4-(1,4-dihydroxy-2,2,6-trimethylcyclohexyl)butan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-6-methyloxane-3,4,5-triolFormula:
C25H46O12Smiles:
CC(CCC1(O)C(C)CC(O)CC1(C)C)OC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1OAglycone:
CC(O)CCC1(O)C(C)CC(O)CC1(C)CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | -1.63 | Num_rotatable_bonds: | 8 |
| MolWt: | 538.63 | Num_heavy_atoms: | 37 |
| TPSA: | 198.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD06611
Formula: C13H26O3
Smiles:
CC(O)CCC1(O)C(C)CC(O)CC1(C)C| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 3 |
| MolWt: | 230.35 | Num_heavy_atoms: | 16 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
