Glycoside
GD124126
Name:
7-{[7-(hydroxymethyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carbonyloxy]methyl}-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylic acidFormula:
C32H42O19Smiles:
O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(COC(=O)C3=COC(OC4OC(CO)C(O)C(O)C4O)C4C(CO)=CCC34)=CCC12Aglycone:
O=C(O)C1=COC(O)C2C(COC(=O)C3=COC(O)C4C(CO)=CCC34)=CCC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.69 |
| AlogP: | -4.16 | Num_rotatable_bonds: | 11 |
| MolWt: | 730.67 | Num_heavy_atoms: | 51 |
| TPSA: | 301.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD50120
Formula: C20H22O9
Smiles:
O=C(O)C1=COC(O)C2C(COC(=O)C3=COC(O)C4C(CO)=CCC34)=CCC12| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 406.39 | Num_heavy_atoms: | 29 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
