Glycoside
GD128317
Name:
2-{[5-hydroxy-6-(hydroxymethyl)-2-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-16'-oloxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C44H72O18Smiles:
CC1CCC2(OC1)OC1CC3C4CC(OC5OC(CO)C(O)C(OC6OCC(O)C(O)C6O)C5OC5OC(CO)C(O)C(O)C5O)C5CC(O)CCC5(C)C4CCC3(C)C1C2CAglycone:
CC1CCC2(OC1)OC1CC3C4CC(O)C5CC(O)CCC5(C)C4CCC3(C)C1C2CSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 9 |
| HBD: | 10 | FractionCSP3: | 1.0 |
| AlogP: | -1.12 | Num_rotatable_bonds: | 8 |
| MolWt: | 889.04 | Num_heavy_atoms: | 62 |
| TPSA: | 276.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD01515
Formula: C27H44O4
Smiles:
CC1CCC2(OC1)OC1CC3C4CC(O)C5CC(O)CCC5(C)C4CCC3(C)C1C2C| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 4.76 | Num_rotatable_bonds: | 0 |
| MolWt: | 432.65 | Num_heavy_atoms: | 31 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
