Glycoside
GD132564
Name:
2-{[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¸]icosan-19-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C39H66O15Smiles:
CC(CCC1(O)OC2CC3C4CC(OC5OC(CO)C(O)C(O)C5O)C5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1OAglycone:
CC(CO)CCC1(O)OC2CC3C4CC(O)C5CC(O)CCC5(C)C4CCC3(C)C2C1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 1.0 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 10 |
| MolWt: | 774.94 | Num_heavy_atoms: | 54 |
| TPSA: | 248.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD02129
Formula: C27H46O5
Smiles:
CC(CO)CCC1(O)OC2CC3C4CC(O)C5CC(O)CCC5(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 |
