Glycoside
GD132376
Name:
2-{[3-hydroxy-2-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-6-{5,7',9'-trimethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-18'-eneoxy}oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C44H70O17Smiles:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)CCC5C4CCC3(C)C1C2CAglycone:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5C4CCC3(C)C1C2CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 9 |
| HBD: | 9 | FractionCSP3: | 0.95 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 8 |
| MolWt: | 871.03 | Num_heavy_atoms: | 61 |
| TPSA: | 255.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD47336
Formula: C26H40O3
Smiles:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5C4CCC3(C)C1C2C| HBA: | 3 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.92 |
| AlogP: | 5.32 | Num_rotatable_bonds: | 0 |
| MolWt: | 400.6 | Num_heavy_atoms: | 29 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
