Glycoside
GD123189
Name:
2-(hydroxymethyl)-6-{[4-(hydroxymethyl)-7-methyl-1H,6H,7H,7aH-cyclopenta[c]pyran-1-yl]oxy}oxane-3,4,5-triolFormula:
C16H24O8Smiles:
CC1CC=C2C(CO)=COC(OC3OC(CO)C(O)C(O)C3O)C21Aglycone:
CC1CC=C2C(CO)=COC(O)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.75 |
| AlogP: | -1.38 | Num_rotatable_bonds: | 4 |
| MolWt: | 344.36 | Num_heavy_atoms: | 24 |
| TPSA: | 128.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD49697
Formula: C10H14O3
Smiles:
CC1CC=C2C(CO)=COC(O)C21| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 1 |
| MolWt: | 182.22 | Num_heavy_atoms: | 13 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
