Glycoside

GD119733
Name:
4,5,9,9,13,20,20-heptamethyl-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-24-oxahexacyclo[15.5.2.0¹,¹â¸.0â´,¹â·.0âµ,¹â´.0â¸,¹³]tetracosan-23-oneFormula:
C36H58O8Smiles:
CC1(C)CCC23CCC4(C)C5(C)CCC6C(C)(C)C(OC7OC(CO)C(O)C(O)C7O)CCC6(C)C5CCC4(OC2=O)C3C1Aglycone:
CC1(C)CCC23CCC4(C)C5(C)CCC6C(C)(C)C(O)CCC6(C)C5CCC4(OC2=O)C3C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 8 | RingCount: | 7 |
HBD: | 4 | FractionCSP3: | 0.97 |
AlogP: | 4.73 | Num_rotatable_bonds: | 3 |
MolWt: | 618.85 | Num_heavy_atoms: | 44 |
TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD48026
Formula: C30H48O3
Smiles:
CC1(C)CCC23CCC4(C)C5(C)CCC6C(C)(C)C(O)CCC6(C)C5CCC4(OC2=O)C3C1HBA: | 3 | RingCount: | 6 |
HBD: | 1 | FractionCSP3: | 0.97 |
AlogP: | 6.91 | Num_rotatable_bonds: | 0 |
MolWt: | 456.71 | Num_heavy_atoms: | 33 |
TPSA: | 46.53 | NumAromaticRings: | 0 |