Glycoside
GD140451
Name:
7-hydroxy-7-(hydroxymethyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylic acidFormula:
C16H24O11Smiles:
O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CCC2(O)COAglycone:
O=C(O)C1=COC(O)C2C1CCC2(O)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.81 |
| AlogP: | -3.12 | Num_rotatable_bonds: | 5 |
| MolWt: | 392.36 | Num_heavy_atoms: | 27 |
| TPSA: | 186.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD56633
Formula: C10H14O6
Smiles:
O=C(O)C1=COC(O)C2C1CCC2(O)CO| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.7 |
| AlogP: | -0.95 | Num_rotatable_bonds: | 2 |
| MolWt: | 230.22 | Num_heavy_atoms: | 16 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
