Glycoside
GD118061
Name:
5,7',9',13'-tetramethyl-16'-{[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¸]icosan]-1'(20')-ene-12',15',18'-triolFormula:
C33H52O11Smiles:
CC1CCC2(OC1)OC1CC3C4=CCC5(O)CC(OC6OC(CO)C(O)C(O)C6O)C(O)CC5(C)C4(O)CCC3(C)C1C2CAglycone:
CC1CCC2(OC1)OC1CC3C4=CCC5(O)CC(O)C(O)CC5(C)C4(O)CCC3(C)C1C2CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.94 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 3 |
| MolWt: | 624.77 | Num_heavy_atoms: | 44 |
| TPSA: | 178.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD47157
Formula: C27H42O6
Smiles:
CC1CCC2(OC1)OC1CC3C4=CCC5(O)CC(O)C(O)CC5(C)C4(O)CCC3(C)C1C2C| HBA: | 6 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 2.91 | Num_rotatable_bonds: | 0 |
| MolWt: | 462.63 | Num_heavy_atoms: | 33 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
