Glycoside

GD133599
Name:
6-({5-carboxy-24-[2-(4-ethyl-1H-pyrrol-3-yl)ethyl]-1,2,8,8,19,19-hexamethylhexacyclo[14.6.2.0²,¹¹.0âµ,¹â°.0¹³,²³.0²â°,²â´]tetracos-11-en-18-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C45H67O9NSmiles:
CCc1c[nH]cc1CCC12C3CCC4C=C5C6CC(C)(C)CCC6(C(=O)O)CCC5(C)C(C)(CCC1C(C)(C)C(OC1OC(C(=O)O)C(O)C(O)C1O)C3)C42Aglycone:
CCc1c[nH]cc1CCC12C3CCC4C=C5C6CC(C)(C)CCC6(C(=O)O)CCC5(C)C(C)(CCC1C(C)(C)C(O)C3)C42Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 10 | RingCount: | 8 |
HBD: | 6 | FractionCSP3: | 0.82 |
AlogP: | 6.9 | Num_rotatable_bonds: | 8 |
MolWt: | 766.03 | Num_heavy_atoms: | 55 |
TPSA: | 169.54 | NumAromaticRings: | 1 |
Unique Aglycone
AD54065
Formula: C39H59O3N
Smiles:
CCc1c[nH]cc1CCC12C3CCC4C=C5C6CC(C)(C)CCC6(C(=O)O)CCC5(C)C(C)(CCC1C(C)(C)C(O)C3)C42HBA: | 4 | RingCount: | 7 |
HBD: | 3 | FractionCSP3: | 0.82 |
AlogP: | 8.98 | Num_rotatable_bonds: | 5 |
MolWt: | 589.91 | Num_heavy_atoms: | 43 |
TPSA: | 73.32 | NumAromaticRings: | 1 |