Glycoside
GD153094
Name:
7',9',13'-trimethyl-5-methylidene-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',15',16',17'-tetrolFormula:
C33H52O12Smiles:
C=C1CCC2(OC1)OC1CC3C4CCC5(OC6OC(CO)C(O)C(O)C6O)C(O)C(O)C(O)C(O)C5(C)C4CCC3(C)C1C2CAglycone:
C=C1CCC2(OC1)OC1CC3C4CCC5(O)C(O)C(O)C(O)C(O)C5(C)C4CCC3(C)C1C2CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.94 |
| AlogP: | -0.43 | Num_rotatable_bonds: | 3 |
| MolWt: | 640.77 | Num_heavy_atoms: | 45 |
| TPSA: | 198.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD60915
Formula: C27H42O7
Smiles:
C=C1CCC2(OC1)OC1CC3C4CCC5(O)C(O)C(O)C(O)C(O)C5(C)C4CCC3(C)C1C2C| HBA: | 7 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 478.63 | Num_heavy_atoms: | 34 |
| TPSA: | 119.61 | NumAromaticRings: | 0 |
