Glycoside
GD131995
Name:
6-methoxy-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosane-11,14,16-triolFormula:
C34H58O11Smiles:
COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5CC(O)CC(O)C5(C)C4C(O)CC3(C)C2C1CAglycone:
COC1(CCC(C)CO)OC2CC3C4CCC5CC(O)CC(O)C5(C)C4C(O)CC3(C)C2C1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 8 |
| MolWt: | 642.83 | Num_heavy_atoms: | 45 |
| TPSA: | 178.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD53448
Formula: C28H48O6
Smiles:
COC1(CCC(C)CO)OC2CC3C4CCC5CC(O)CC(O)C5(C)C4C(O)CC3(C)C2C1C| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 3.34 | Num_rotatable_bonds: | 5 |
| MolWt: | 480.69 | Num_heavy_atoms: | 34 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
