Glycoside
GD124321
Name:
4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl 1-hydroxy-6-{1-hydroxy-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carbonyloxy}-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C26H36O13Smiles:
CC1CCC2C(C(=O)OC3CC4C(C(=O)OC5C(CO)OC(O)C(O)C5O)=COC(O)C4C3C)=COC(O)C12Aglycone:
CC1CCC2C(C(=O)OC3CC4C(C(=O)O)=COC(O)C4C3C)=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.77 |
| AlogP: | -1.36 | Num_rotatable_bonds: | 5 |
| MolWt: | 556.56 | Num_heavy_atoms: | 39 |
| TPSA: | 201.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD50214
Formula: C20H26O8
Smiles:
CC1CCC2C(C(=O)OC3CC4C(C(=O)O)=COC(O)C4C3C)=COC(O)C12| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.7 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 3 |
| MolWt: | 394.42 | Num_heavy_atoms: | 28 |
| TPSA: | 122.52 | NumAromaticRings: | 0 |
