Glycoside
GD150361
Name:
2-{[2-carboxy-6-({2-carboxy-6-[(2-carboxy-4,5,6-trihydroxyoxan-3-yl)oxy]-4,5-dihydroxyoxan-3-yl}oxy)-4,5-dihydroxyoxan-3-yl]oxy}-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acidFormula:
C24H32O24Smiles:
O=C(O)C1=CC(O)C(O)C(OC2C(C(=O)O)OC(OC3C(C(=O)O)OC(OC4C(C(=O)O)OC(O)C(O)C4O)C(O)C3O)C(O)C2O)O1Aglycone:
O=C(O)C1=CC(O)C(O)C(O)O1Sugarmoiety:
O=C(O)C1OC(OC2C(C(=O)O)OC(OC3C(C(=O)O)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 4 |
| HBD: | 13 | FractionCSP3: | 0.75 |
| AlogP: | -8.23 | Num_rotatable_bonds: | 10 |
| MolWt: | 704.5 | Num_heavy_atoms: | 48 |
| TPSA: | 395.88 | 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 |
