Glycoside
GD139180
Name:
6-({7-hydroxy-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl}oxy)-2-(hydroxymethyl)oxane-2,3,4,5-tetrolFormula:
C15H24O9Smiles:
CC1(O)CCC2C=COC(OC3OC(O)(CO)C(O)C(O)C3O)C21Aglycone:
CC1(O)CCC2C=COC(O)C21Sugarmoiety:
OCC1(O)OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.87 |
| AlogP: | -2.23 | Num_rotatable_bonds: | 3 |
| MolWt: | 348.35 | Num_heavy_atoms: | 24 |
| TPSA: | 149.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD45984
Formula: C9H14O3
Smiles:
CC1(O)CCC2C=COC(O)C21| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.78 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 170.21 | Num_heavy_atoms: | 12 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
