Glycoside
GD122403
Name:
2-{[19-hydroxy-6-methoxy-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxahexacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸.0¹â¶,¹â¸]icosan-14-yl]oxy}-6-methyloxane-3,4,5-triolFormula:
C40H66O14Smiles:
COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC(O)C56CC5CC(OC5OC(C)C(O)C(O)C5O)C6(C)C4CCC3(C)C2C1CAglycone:
COC1(CCC(C)CO)OC2CC3C4CC(O)C56CC5CC(O)C6(C)C4CCC3(C)C2C1CSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 10 |
| MolWt: | 770.95 | Num_heavy_atoms: | 54 |
| TPSA: | 217.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD49319
Formula: C28H46O5
Smiles:
COC1(CCC(C)CO)OC2CC3C4CC(O)C56CC5CC(O)C6(C)C4CCC3(C)C2C1C| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 3.98 | Num_rotatable_bonds: | 5 |
| MolWt: | 462.67 | Num_heavy_atoms: | 33 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
