Glycoside
GD151123
Name:
[6,16-dihydroxy-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¸]icos-18-en-14-yl]oxidanesulfonic acidFormula:
C33H54O13SSmiles:
CC(CCC1(O)OC2CC3C4CC=C5CC(O)CC(OS(=O)(=O)O)C5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1OAglycone:
CC(CO)CCC1(O)OC2CC3C4CC=C5CC(O)CC(OS(=O)(=O)O)C5(C)C4CCC3(C)C2C1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.94 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 9 |
| MolWt: | 690.85 | Num_heavy_atoms: | 47 |
| TPSA: | 212.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD60302
Formula: C27H44O8S
Smiles:
CC(CO)CCC1(O)OC2CC3C4CC=C5CC(O)CC(OS(=O)(=O)O)C5(C)C4CCC3(C)C2C1C| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 3.47 | Num_rotatable_bonds: | 6 |
| MolWt: | 528.71 | Num_heavy_atoms: | 36 |
| TPSA: | 133.52 | NumAromaticRings: | 0 |
