Glycoside
GD142835
Name:
2-[(4-{[(3,4-dihydroxy-5,6-dimethyloxan-2-yl)oxy]methyl}-5-hydroxy-1H,4aH,5H,7aH-cyclopenta[c]pyran-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C22H34O12Smiles:
CC1OC(OCC2=COC(OC3OC(CO)C(O)C(O)C3O)C3C=CC(O)C23)C(O)C(O)C1CAglycone:
OCC1=COC(O)C2C=CC(O)C12Sugarmoiety:
CC1OC(O)C(O)C(O)C1C.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.82 |
| AlogP: | -2.67 | Num_rotatable_bonds: | 6 |
| MolWt: | 490.5 | Num_heavy_atoms: | 34 |
| TPSA: | 187.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD57469
Formula: C9H12O4
Smiles:
OCC1=COC(O)C2C=CC(O)C12| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.19 | Num_heavy_atoms: | 13 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
