Glycoside
GD137484
Name:
5,7',9',13'-tetramethyl-18'-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosane]-14',16',17'-triolFormula:
C33H54O11Smiles:
CC1CCC2(OC1)OC1CC3C4CCC5(OC6OC(CO)C(O)C(O)C6O)C(O)C(O)CC(O)C5(C)C4CCC3(C)C1C2CAglycone:
CC1CCC2(OC1)OC1CC3C4CCC5(O)C(O)C(O)CC(O)C5(C)C4CCC3(C)C1C2CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 3 |
| MolWt: | 626.78 | Num_heavy_atoms: | 44 |
| TPSA: | 178.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD53196
Formula: C27H44O6
Smiles:
CC1CCC2(OC1)OC1CC3C4CCC5(O)C(O)C(O)CC(O)C5(C)C4CCC3(C)C1C2C| HBA: | 6 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 2.85 | Num_rotatable_bonds: | 0 |
| MolWt: | 464.64 | Num_heavy_atoms: | 33 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
