Glycoside
GD153674
Name:
4-(methoxycarbonyl)-5-oxo-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4a-carboxylic acidFormula:
C17H22O12Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2CCC(=O)C12C(=O)OAglycone:
COC(=O)C1=COC(O)C2CCC(=O)C12C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | -2.73 | Num_rotatable_bonds: | 5 |
| MolWt: | 418.35 | Num_heavy_atoms: | 29 |
| TPSA: | 189.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD61089
Formula: C11H12O7
Smiles:
COC(=O)C1=COC(O)C2CCC(=O)C12C(=O)O| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.55 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 2 |
| MolWt: | 256.21 | Num_heavy_atoms: | 18 |
| TPSA: | 110.13 | NumAromaticRings: | 0 |
