Glycoside
GD147096
Name:
2-{[6,15-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¸]icosan-16-yl]oxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triolFormula:
C44H74O19Smiles:
CC(CCC1(O)OC2CC3C4CCC5CC(OC6OC(COC7OCC(O)C(O)C7O)C(O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1OAglycone:
CC(CO)CCC1(O)OC2CC3C4CCC5CC(O)C(O)CC5(C)C4CCC3(C)C2C1CSugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 8 |
| HBD: | 12 | FractionCSP3: | 1.0 |
| AlogP: | -2.17 | Num_rotatable_bonds: | 12 |
| MolWt: | 907.06 | Num_heavy_atoms: | 63 |
| TPSA: | 307.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD06801
Formula: C27H46O5
Smiles:
CC(CO)CCC1(O)OC2CC3C4CCC5CC(O)C(O)CC5(C)C4CCC3(C)C2C1C| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 3.72 | Num_rotatable_bonds: | 4 |
| MolWt: | 450.66 | Num_heavy_atoms: | 32 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
