Glycoside
GD062677
Name:
3-hydroxy-2-[3-methyl-2-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclopent-2-en-1-yl]propanoic acidFormula:
C16H26O9Smiles:
CC1=C(CO[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]([C@@H](CO)C(=O)O)CC1Aglycone:
CC1=C(CO)C(C(CO)C(=O)O)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.81 |
| AlogP: | -1.78 | Num_rotatable_bonds: | 7 |
| MolWt: | 362.38 | Num_heavy_atoms: | 25 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD30345
Formula: C10H16O4
Smiles:
CC1=C(CO)C(C(CO)C(=O)O)CC1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.7 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 4 |
| MolWt: | 200.23 | Num_heavy_atoms: | 14 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
