Glycoside

GD118437
Name:
6-(2-methoxypropan-2-yl)-2,9,11,14,19,19-hexamethyl-17-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-oxapentacyclo[12.8.0.0²,¹¹.0â´,¹â°.0¹âµ,²â°]docosa-16,20-diene-8,13,18-trioneFormula:
C37H54O11Smiles:
COC(C)(C)C1CC(=O)C(C)C2C(CC3(C)C4CC=C5C(C=C(OC6OC(CO)C(O)C(O)C6O)C(=O)C5(C)C)C4(C)C(=O)CC23C)O1Aglycone:
COC(C)(C)C1CC(=O)C(C)C2C(CC3(C)C4CC=C5C(C=C(O)C(=O)C5(C)C)C4(C)C(=O)CC23C)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 11 | RingCount: | 6 |
HBD: | 4 | FractionCSP3: | 0.81 |
AlogP: | 2.66 | Num_rotatable_bonds: | 5 |
MolWt: | 674.83 | Num_heavy_atoms: | 48 |
TPSA: | 169.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD47354
Formula: C31H44O6
Smiles:
COC(C)(C)C1CC(=O)C(C)C2C(CC3(C)C4CC=C5C(C=C(O)C(=O)C5(C)C)C4(C)C(=O)CC23C)O1HBA: | 6 | RingCount: | 5 |
HBD: | 1 | FractionCSP3: | 0.77 |
AlogP: | 5.4 | Num_rotatable_bonds: | 2 |
MolWt: | 512.69 | Num_heavy_atoms: | 37 |
TPSA: | 89.9 | NumAromaticRings: | 0 |