Glycoside
GD115102
Name:
6-[({4a,7-dihydroxy-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl}oxy)methyl]oxane-2,3,4,5-tetrolFormula:
C15H24O9Smiles:
CC1(O)CCC2(O)C=COC(OCC3OC(O)C(O)C(O)C3O)C12Aglycone:
COC1OC=CC2(O)CCC(C)(O)C12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.87 |
| AlogP: | -2.43 | Num_rotatable_bonds: | 3 |
| MolWt: | 348.35 | Num_heavy_atoms: | 24 |
| TPSA: | 149.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD45473
Formula: C10H16O4
Smiles:
COC1OC=CC2(O)CCC(C)(O)C12| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 1 |
| MolWt: | 200.23 | Num_heavy_atoms: | 14 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
