Glycoside
GD129658
Name:
5,6-bis(benzoyloxy)-7-(methoxycarbonyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylic acidFormula:
C31H32O15Smiles:
COC(=O)C1C(OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)C2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
COC(=O)C1C(OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)C2C(C(=O)O)=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | -0.39 | Num_rotatable_bonds: | 9 |
| MolWt: | 644.58 | Num_heavy_atoms: | 46 |
| TPSA: | 224.81 | NumAromaticRings: | 2 |
Unique Aglycone
AD52526
Formula: C25H22O10
Smiles:
COC(=O)C1C(OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)C2C(C(=O)O)=COC(O)C12| HBA: | 10 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.28 |
| AlogP: | 1.79 | Num_rotatable_bonds: | 6 |
| MolWt: | 482.44 | Num_heavy_atoms: | 35 |
| TPSA: | 145.66 | NumAromaticRings: | 2 |
