Glycoside
GD133015
Name:
2-[(2-carboxy-4,5,6-trihydroxyoxan-3-yl)oxy]-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acidFormula:
C12H16O12Smiles:
O=C(O)C1=CC(O)C(O)C(OC2C(C(=O)O)OC(O)C(O)C2O)O1Aglycone:
O=C(O)C1=CC(O)C(O)C(O)O1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | -4.06 | Num_rotatable_bonds: | 4 |
| MolWt: | 352.25 | Num_heavy_atoms: | 24 |
| TPSA: | 203.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD03451
Formula: C6H8O6
Smiles:
O=C(O)C1=CC(O)C(O)C(O)O1| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.97 | Num_rotatable_bonds: | 1 |
| MolWt: | 176.12 | Num_heavy_atoms: | 12 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
