Glycoside
GD148778
Name:
2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosane]oxy}oxan-3-yl]oxy}oxane-3,4,5-triolFormula:
C43H70O17Smiles:
CC1COC2(OC3CC4C5CCC6CC(OC7OC(CO)C(OC8OCC(O)C(O)C8O)C(O)C7O)CCC6(C)C5CCC4(C)C3C2C)C(OC2OCC(O)C(O)C2O)C1Aglycone:
CC1COC2(OC3CC4C5CCC6CC(O)CCC6(C)C5CCC4(C)C3C2C)C(O)C1Sugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OC1OCC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 9 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | -0.48 | Num_rotatable_bonds: | 7 |
| MolWt: | 859.02 | Num_heavy_atoms: | 60 |
| TPSA: | 255.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD10216
Formula: C27H44O4
Smiles:
CC1COC2(OC3CC4C5CCC6CC(O)CCC6(C)C5CCC4(C)C3C2C)C(O)C1| 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 |
