Glycoside
GD146191
Name:
2-[(6-{[4,5-dihydroxy-6-(hydroxymethyl)-2-{5,9',13'-trimethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosane]oxy}oxan-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C44H72O17Smiles:
CC1CCC2(CC3C(CC4C5CCC6CC(OC7OC(CO)C(O)C(O)C7OC7OC(C)C(OC8OC(CO)C(O)C(O)C8O)C(O)C7O)CCC6(C)C5CCC34C)O2)OC1Aglycone:
CC1CCC2(CC3C(CC4C5CCC6CC(O)CCC6(C)C5CCC34C)O2)OC1Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 9 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 8 |
| MolWt: | 873.04 | Num_heavy_atoms: | 61 |
| TPSA: | 255.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD58632
Formula: C26H42O3
Smiles:
CC1CCC2(CC3C(CC4C5CCC6CC(O)CCC6(C)C5CCC34C)O2)OC1| HBA: | 3 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 5.55 | Num_rotatable_bonds: | 0 |
| MolWt: | 402.62 | Num_heavy_atoms: | 29 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
