Glycoside
GD116764
Name:
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-methyl-1-oxo-1H,3H,4H,4aH,5H,6H-cyclopenta[c]pyran-4-carboxylateFormula:
C25H32O12Smiles:
CC1=C2C(=O)OCC(C(=O)OC3C4C=COC(OC5OC(CO)C(O)C(O)C5O)C4C4(C)OC34)C2CC1Aglycone:
CC1=C2C(=O)OCC(C(=O)OC3C4C=COC(O)C4C4(C)OC34)C2CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.76 |
| AlogP: | -1.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 524.52 | Num_heavy_atoms: | 37 |
| TPSA: | 173.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD46438
Formula: C19H22O7
Smiles:
CC1=C2C(=O)OCC(C(=O)OC3C4C=COC(O)C4C4(C)OC34)C2CC1| HBA: | 7 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.68 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 2 |
| MolWt: | 362.38 | Num_heavy_atoms: | 26 |
| TPSA: | 94.59 | NumAromaticRings: | 0 |
