Glycoside
GD131071
Name:
6-({[7-(hydroxymethyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-5-yl]oxy}methyl)oxane-2,3,4,5-tetrolFormula:
C21H32O14Smiles:
OCC1=CC(OCC2OC(O)C(O)C(O)C2O)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
COC1C=C(CO)C2C(O)OC=CC12Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.81 |
| AlogP: | -4.98 | Num_rotatable_bonds: | 7 |
| MolWt: | 508.47 | Num_heavy_atoms: | 35 |
| TPSA: | 228.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD47343
Formula: C10H14O4
Smiles:
COC1C=C(CO)C2C(O)OC=CC12| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 2 |
| MolWt: | 198.22 | Num_heavy_atoms: | 14 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
