Glycoside
GD117516
Name:
4,5-dihydroxy-2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosane]-16',18',19'-trioloxy}oxan-3-yl acetateFormula:
C35H56O12Smiles:
CC(=O)OC1C(CO)OC(OC2CC3(C)C4CCC5(C)C(CC6OC7(CCC(C)CO7)C(C)C65)C4CC(O)C3(O)CC2O)C(O)C1OAglycone:
CC1CCC2(OC1)OC1CC3C4CC(O)C5(O)CC(O)C(O)CC5(C)C4CCC3(C)C1C2CSugarmoiety:
CC(=O)OC1C(CO)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.97 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 4 |
| MolWt: | 668.82 | Num_heavy_atoms: | 47 |
| TPSA: | 184.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD46862
Formula: C27H44O6
Smiles:
CC1CCC2(OC1)OC1CC3C4CC(O)C5(O)CC(O)C(O)CC5(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 |
