Glycoside
GD126855
Name:
2-[(4,5-dihydroxy-2-methyl-6-{5,9',13'-trimethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-18'-eneoxy}oxan-3-yl)oxy]-6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4,5-triolFormula:
C43H68O16Smiles:
CC1CCC2(CC3C(CC4C5CC=C6CC(OC7OC(C)C(OC8OC(COC9OCC(O)(CO)C9O)C(O)C(O)C8O)C(O)C7O)CCC6(C)C5CCC34C)O2)OC1Aglycone:
CC1CCC2(CC3C(CC4C5CC=C6CC(O)CCC6(C)C5CCC34C)O2)OC1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 9 |
| HBD: | 8 | FractionCSP3: | 0.95 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 8 |
| MolWt: | 841.0 | Num_heavy_atoms: | 59 |
| TPSA: | 235.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD50212
Formula: C26H40O3
Smiles:
CC1CCC2(CC3C(CC4C5CC=C6CC(O)CCC6(C)C5CCC34C)O2)OC1| HBA: | 3 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.92 |
| AlogP: | 5.47 | Num_rotatable_bonds: | 0 |
| MolWt: | 400.6 | Num_heavy_atoms: | 29 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
