Glycoside
GD116126
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¸]icosan-16-oneFormula:
C34H56O9Smiles:
COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5CC(=O)CCC5(C)C4CCC3(C)C2C1CAglycone:
COC1(CCC(C)CO)OC2CC3C4CCC5CC(=O)CCC5(C)C4CCC3(C)C2C1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.97 |
| AlogP: | 3.43 | Num_rotatable_bonds: | 8 |
| MolWt: | 608.81 | Num_heavy_atoms: | 43 |
| TPSA: | 134.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD46063
Formula: C28H46O4
Smiles:
COC1(CCC(C)CO)OC2CC3C4CCC5CC(=O)CCC5(C)C4CCC3(C)C2C1C| HBA: | 4 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.96 |
| AlogP: | 5.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 446.67 | Num_heavy_atoms: | 32 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
