Glycoside
GD139325
Name:
2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosane]-3,3'-dioloxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C39H64O15Smiles:
CC1COC2(OC3C(O)C4C5CCC6CC(OC7OC(CO)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)CCC6(C)C5CCC4(C)C3C2C)C(O)C1Aglycone:
CC1COC2(OC3C(O)C4C5CCC6CC(O)CCC6(C)C5CCC4(C)C3C2C)C(O)C1Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | -0.62 | Num_rotatable_bonds: | 6 |
| MolWt: | 772.93 | Num_heavy_atoms: | 54 |
| TPSA: | 237.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD56182
Formula: C27H44O5
Smiles:
CC1COC2(OC3C(O)C4C5CCC6CC(O)CCC6(C)C5CCC4(C)C3C2C)C(O)C1| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 3.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 448.64 | Num_heavy_atoms: | 32 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
