Glycoside
GD134183
Name:
2-[(4,5-dihydroxy-2-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-16'-oloxy}oxan-3-yl)oxy]-6-methyloxane-3,4,5-triolFormula:
C38H62O12Smiles:
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CC(OC6OCC(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C5(C)C4CCC3(C)C1C2CAglycone:
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CC(O)C5(C)C4CCC3(C)C1C2CSugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 2.08 | Num_rotatable_bonds: | 4 |
| MolWt: | 710.9 | Num_heavy_atoms: | 50 |
| TPSA: | 176.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD08033
Formula: C27H44O4
Smiles:
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CC(O)C5(C)C4CCC3(C)C1C2C| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 4.76 | Num_rotatable_bonds: | 0 |
| MolWt: | 432.65 | Num_heavy_atoms: | 31 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
