Glycoside
GD131360
Name:
4-ethenyl-4-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-oneFormula:
C13H20O8Smiles:
C=CC1(C)COC(=O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
C=CC1(C)COC(=O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.77 |
| AlogP: | -2.08 | Num_rotatable_bonds: | 4 |
| MolWt: | 304.3 | Num_heavy_atoms: | 21 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD53223
Formula: C7H10O3
Smiles:
C=CC1(C)COC(=O)C1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.57 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 1 |
| MolWt: | 142.15 | Num_heavy_atoms: | 10 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
