Glycoside
...
GD133599

Name:
6-({5-carboxy-24-[2-(4-ethyl-1H-pyrrol-3-yl)ethyl]-1,2,8,8,19,19-hexamethylhexacyclo[14.6.2.0²,¹¹.0⁵,¹⁰.0¹³,²³.0²⁰,²⁴]tetracos-11-en-18-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

Formula:
C45H67O9N

Smiles:
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)C42

Aglycone:
CCc1c[nH]cc1CCC12C3CCC4C=C5C6CC(C)(C)CCC6(C(=O)O)CCC5(C)C(C)(CCC1C(C)(C)C(O)C3)C42

Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O

Other 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)C42
HBA: 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

Sugarmoiety
SD00030

O=C(O)C1OC(O)C(O)C(O)C1O