Glycoside
GD132495
Name:
2-(4-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl)acetic acidFormula:
C14H24O9Smiles:
O=C(O)CC1(OC2OC(CO)C(O)C(O)C2O)CCC(O)CC1Aglycone:
O=C(O)CC1(O)CCC(O)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.93 |
| AlogP: | -2.05 | Num_rotatable_bonds: | 5 |
| MolWt: | 336.34 | Num_heavy_atoms: | 23 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD53651
Formula: C8H14O4
Smiles:
O=C(O)CC1(O)CCC(O)CC1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 2 |
| MolWt: | 174.2 | Num_heavy_atoms: | 12 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
