Glycoside
GD151577
Name:
3,4,5-trihydroxy-6-{[2-(2-hydroxypropan-2-yl)-5-methylcyclohexyl]oxy}oxane-2-carboxylic acidFormula:
C16H28O8Smiles:
CC1CCC(C(C)(C)O)C(OC2OC(C(=O)O)C(O)C(O)C2O)C1Aglycone:
CC1CCC(C(C)(C)O)C(O)C1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.94 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 4 |
| MolWt: | 348.39 | Num_heavy_atoms: | 24 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD60438
Formula: C10H20O2
Smiles:
CC1CCC(C(C)(C)O)C(O)C1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 1 |
| MolWt: | 172.27 | Num_heavy_atoms: | 12 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
