Glycoside
GD121504
Name:
6-(4-hydroxy-3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-6-methoxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosane-14,16,17,18-tetrolFormula:
C34H58O13Smiles:
COC1(CCC(C)C(O)OC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5(O)C(O)C(O)CC(O)C5(C)C4CCC3(C)C2C1CAglycone:
COC1(CCC(C)C(O)O)OC2CC3C4CCC5(O)C(O)C(O)CC(O)C5(C)C4CCC3(C)C2C1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 8 |
| MolWt: | 674.83 | Num_heavy_atoms: | 47 |
| TPSA: | 218.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD48914
Formula: C28H48O8
Smiles:
COC1(CCC(C)C(O)O)OC2CC3C4CCC5(O)C(O)C(O)CC(O)C5(C)C4CCC3(C)C2C1C| HBA: | 8 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 5 |
| MolWt: | 512.68 | Num_heavy_atoms: | 36 |
| TPSA: | 139.84 | NumAromaticRings: | 0 |
