Glycoside
GD125038
Name:
10-[(5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-3,4-dihydroxyoxan-2-yl)oxy]-4,5,9,9,13,20-hexamethyl-2-oxo-24-oxahexacyclo[15.5.2.0¹,¹â¸.0â´,¹â·.0âµ,¹â´.0â¸,¹³]tetracosane-20-carbaldehydeFormula:
C46H72O17Smiles:
CC1(C=O)CCC23COC4(CCC5C6(C)CCC(OC7OCC(OC8OC(CO)C(O)C(O)C8OC8OCC(O)C(O)C8O)C(O)C7O)C(C)(C)C6CCC5(C)C4(C)CC2=O)C3C1Aglycone:
CC1(C=O)CCC23COC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2=O)C3C1Sugarmoiety:
OCC1OC(OC2COC(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 9 |
| HBD: | 8 | FractionCSP3: | 0.96 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 8 |
| MolWt: | 897.06 | Num_heavy_atoms: | 63 |
| TPSA: | 260.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD04538
Formula: C30H46O4
Smiles:
CC1(C=O)CCC23COC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2=O)C3C1| HBA: | 4 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 5.74 | Num_rotatable_bonds: | 1 |
| MolWt: | 470.69 | Num_heavy_atoms: | 34 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
