Glycoside
GD134318
Name:
(7-hydroxy-4-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-7-yl)methyl acetateFormula:
C18H28O10Smiles:
CC(=O)OCC1(O)CCC2C(C)=COC(OC3OC(CO)C(O)C(O)C3O)C21Aglycone:
CC(=O)OCC1(O)CCC2C(C)=COC(O)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.83 |
| AlogP: | -1.62 | Num_rotatable_bonds: | 5 |
| MolWt: | 404.41 | Num_heavy_atoms: | 28 |
| TPSA: | 155.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD54345
Formula: C12H18O5
Smiles:
CC(=O)OCC1(O)CCC2C(C)=COC(O)C21| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 2 |
| MolWt: | 242.27 | Num_heavy_atoms: | 17 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
