Glycoside
GD123128
Name:
10-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-2-hydroxy-4,5,9,9,13,20-hexamethyl-24-oxahexacyclo[15.5.2.0¹,¹â¸.0â´,¹â·.0âµ,¹â´.0â¸,¹³]tetracosane-20-carbaldehydeFormula:
C41H66O13Smiles:
CC1(C=O)CCC23COC4(CCC5C6(C)CCC(OC7OCC(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1Aglycone:
CC1(C=O)CCC23COC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1Sugarmoiety:
OCC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.98 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 6 |
| MolWt: | 766.97 | Num_heavy_atoms: | 54 |
| TPSA: | 204.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD01925
Formula: C30H48O4
Smiles:
CC1(C=O)CCC23COC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.97 |
| AlogP: | 5.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
