Glycoside
GD115978
Name:
3,5-dihydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]cyclohex-1-ene-1-carboxylic acidFormula:
C12H18O9Smiles:
O=C(O)C1=CC(O)C(OC2OCC(O)C(O)C2O)C(O)C1Aglycone:
O=C(O)C1=CC(O)C(O)C(O)C1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.75 |
| AlogP: | -3.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 306.27 | Num_heavy_atoms: | 21 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD45974
Formula: C7H10O5
Smiles:
O=C(O)C1=CC(O)C(O)C(O)C1| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | -1.52 | Num_rotatable_bonds: | 1 |
| MolWt: | 174.15 | Num_heavy_atoms: | 12 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
