Glycoside
GD156398
Name:
2-[(2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosane]oxy}oxan-3-yl]oxy}-4-methyl-3,7,8-trioxabicyclo[4.2.0]octan-5-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C45H72O17Smiles:
CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(OC7OC(CO)C(O)C(O)C7O)C7OOC67)CCC5(C)C4CCC3(C)C1C2CAglycone:
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C.CC1OC(O)C2OOC2C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 10 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 8 |
| MolWt: | 885.05 | Num_heavy_atoms: | 62 |
| TPSA: | 233.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD01572
Formula: C27H44O3
Smiles:
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C| HBA: | 3 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 5.79 | Num_rotatable_bonds: | 0 |
| MolWt: | 416.65 | Num_heavy_atoms: | 30 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
AD61936
Formula: C6H10O5
Smiles:
CC1OC(O)C2OOC2C1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -1.22 | Num_rotatable_bonds: | 0 |
| MolWt: | 162.14 | Num_heavy_atoms: | 11 |
| TPSA: | 68.15 | NumAromaticRings: | 0 |
