Glycoside
GD114344
Name:
2-{[2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.0¹,¹â¸.0â´,¹â·.0âµ,¹â´.0â¸,¹³]tetracos-15-en-10-yl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triolFormula:
C42H68O14Smiles:
CC1(C)CCC23COC4(C=CC5C6(C)CCC(OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O)C(C)(CO)C6CCC5(C)C4(C)CC2O)C3C1Aglycone:
CC1(C)CCC23COC4(C=CC5C6(C)CCC(O)C(C)(CO)C6CCC5(C)C4(C)CC2O)C3C1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.95 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 7 |
| MolWt: | 796.99 | Num_heavy_atoms: | 56 |
| TPSA: | 228.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD00452
Formula: C30H48O4
Smiles:
CC1(C)CCC23COC4(C=CC5C6(C)CCC(O)C(C)(CO)C6CCC5(C)C4(C)CC2O)C3C1| HBA: | 4 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 5.1 | Num_rotatable_bonds: | 1 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
