Glycoside
GD119849
Name:
2-{[4a,6,7-trihydroxy-4-(hydroxymethyl)-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C16H26O11Smiles:
CC1(O)C(O)CC2(O)C(CO)=COC(OC3OC(CO)C(O)C(O)C3O)C21Aglycone:
CC1(O)C(O)CC2(O)C(CO)=COC(O)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.88 |
| AlogP: | -4.1 | Num_rotatable_bonds: | 4 |
| MolWt: | 394.37 | Num_heavy_atoms: | 27 |
| TPSA: | 189.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD48079
Formula: C10H16O6
Smiles:
CC1(O)C(O)CC2(O)C(CO)=COC(O)C21| HBA: | 6 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.8 |
| AlogP: | -1.93 | Num_rotatable_bonds: | 1 |
| MolWt: | 232.23 | Num_heavy_atoms: | 16 |
| TPSA: | 110.38 | NumAromaticRings: | 0 |
