Glycoside
GD115556
Name:
2-({6-chloro-4a,7-dihydroxy-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C16H23O9ClSmiles:
CC1(O)C(Cl)CC2(O)C=COC(OC3OC(CO)C(O)C(O)C3O)C21Aglycone:
CC1(O)C(Cl)CC2(O)C=COC(O)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.87 |
| AlogP: | -2.22 | Num_rotatable_bonds: | 3 |
| MolWt: | 382.79 | Num_heavy_atoms: | 25 |
| TPSA: | 149.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD45736
Formula: C10H13O4Cl
Smiles:
CC1(O)C(Cl)CC2(O)C=COC(O)C21| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.78 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 0 |
| MolWt: | 220.65 | Num_heavy_atoms: | 14 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
