Glycoside
GD124366
Name:
6,7-dihydroxy-7-(hydroxymethyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-5-yl benzoateFormula:
C22H28O12Smiles:
O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C(O)(CO)C1O)c1ccccc1Aglycone:
O=C(OC1C2C=COC(O)C2C(O)(CO)C1O)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.59 |
| AlogP: | -2.77 | Num_rotatable_bonds: | 6 |
| MolWt: | 484.45 | Num_heavy_atoms: | 34 |
| TPSA: | 195.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD50234
Formula: C16H18O7
Smiles:
O=C(OC1C2C=COC(O)C2C(O)(CO)C1O)c1ccccc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 3 |
| MolWt: | 322.31 | Num_heavy_atoms: | 23 |
| TPSA: | 116.45 | NumAromaticRings: | 1 |
