Glycoside
GD155288
Name:
2-{[5-hydroxy-7-(hydroxymethyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]peroxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4a-yl]peroxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C21H32O17Smiles:
OCC1=CC(O)C2(OOC3OC(CO)C(O)C(O)C3O)C=COC(OOC3OC(CO)C(O)C(O)C3O)C12Aglycone:
OCC1=CC(O)C2(OO)C=COC(OO)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.81 |
| AlogP: | -6.0 | Num_rotatable_bonds: | 9 |
| MolWt: | 556.47 | Num_heavy_atoms: | 38 |
| TPSA: | 266.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD61605
Formula: C9H12O7
Smiles:
OCC1=CC(O)C2(OO)C=COC(OO)C12| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 3 |
| MolWt: | 232.19 | Num_heavy_atoms: | 16 |
| TPSA: | 108.61 | NumAromaticRings: | 0 |
