Glycoside
GD134042
Name:
14,15,16,17,18,20-hexahydroxy-6-methoxy-7,9,13-trimethyl-6-[3-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)but-3-en-1-yl]-5-oxapentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan-19-oneFormula:
C34H54O15Smiles:
C=C(CCC1(OC)OC2CC3C4C(O)C(=O)C5(O)C(O)C(O)C(O)C(O)C5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1OAglycone:
C=C(CO)CCC1(OC)OC2CC3C4C(O)C(=O)C5(O)C(O)C(O)C(O)C(O)C5(C)C4CCC3(C)C2C1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.91 |
| AlogP: | -2.68 | Num_rotatable_bonds: | 8 |
| MolWt: | 702.79 | Num_heavy_atoms: | 49 |
| TPSA: | 256.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD54229
Formula: C28H44O10
Smiles:
C=C(CO)CCC1(OC)OC2CC3C4C(O)C(=O)C5(O)C(O)C(O)C(O)C(O)C5(C)C4CCC3(C)C2C1C| HBA: | 10 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.89 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 5 |
| MolWt: | 540.65 | Num_heavy_atoms: | 38 |
| TPSA: | 177.14 | NumAromaticRings: | 0 |
