Glycoside
GD121557
Name:
6-hydroxy-2-methyl-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,â´]dec-7-en-5-yl 7-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C31H44O19Smiles:
CC1(O)CCC2C(C(=O)OC3C4OC4(C)C4C(OC5OC(CO)C(O)C(O)C5O)OC=CC34O)=COC(OC3OC(CO)C(O)C(O)C3O)C21Aglycone:
CC1(O)CCC2C(C(=O)OC3C4OC4(C)C4C(O)OC=CC34O)=COC(O)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.84 |
| AlogP: | -5.06 | Num_rotatable_bonds: | 8 |
| MolWt: | 720.67 | Num_heavy_atoms: | 50 |
| TPSA: | 296.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD48939
Formula: C19H24O9
Smiles:
CC1(O)CCC2C(C(=O)OC3C4OC4(C)C4C(O)OC=CC34O)=COC(O)C21| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.74 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 2 |
| MolWt: | 396.39 | Num_heavy_atoms: | 28 |
| TPSA: | 138.21 | NumAromaticRings: | 0 |
