Glycoside
GD150866
Name:
5,7',9',13'-tetramethyl-4,15'-bis({[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]-16',18',19'-triolFormula:
C39H64O17Smiles:
CC1COC2(CC1OC1OC(CO)C(O)C(O)C1O)OC1CC3C4CC(O)C5(O)CC(O)C(OC6OC(CO)C(O)C(O)C6O)CC5(C)C4CCC3(C)C1C2CAglycone:
CC1COC2(CC1O)OC1CC3C4CC(O)C5(O)CC(O)C(O)CC5(C)C4CCC3(C)C1C2CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 8 |
| HBD: | 11 | FractionCSP3: | 1.0 |
| AlogP: | -2.53 | Num_rotatable_bonds: | 6 |
| MolWt: | 804.92 | Num_heavy_atoms: | 56 |
| TPSA: | 277.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD53945
Formula: C27H44O7
Smiles:
CC1COC2(CC1O)OC1CC3C4CC(O)C5(O)CC(O)C(O)CC5(C)C4CCC3(C)C1C2C| HBA: | 7 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 0 |
| MolWt: | 480.64 | Num_heavy_atoms: | 34 |
| TPSA: | 119.61 | NumAromaticRings: | 0 |
