Glycoside
GD155941
Name:
2-{[5-hydroxy-7-(hydroxymethyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4a-yl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triolFormula:
C27H42O20Smiles:
OCC1=CC(O)C2(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C=COC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
OCC1=CC(O)C2(O)C=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 13 | FractionCSP3: | 0.85 |
| AlogP: | -8.04 | Num_rotatable_bonds: | 10 |
| MolWt: | 686.61 | Num_heavy_atoms: | 47 |
| TPSA: | 327.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD05061
Formula: C9H12O5
Smiles:
OCC1=CC(O)C2(O)C=COC(O)C12| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -1.51 | Num_rotatable_bonds: | 1 |
| MolWt: | 200.19 | Num_heavy_atoms: | 14 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
