Glycoside
...
GD132625

Name:
novaeguinoside b

Formula:
C36H59O16NS3

Smiles:
CC(C=CC(C)C1CCC2C3CC(OC4OC(C)C(OS(=O)(=O)O)C(O)C4O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC12C)C(C)C(O)=NCCS(=O)(=O)O

Aglycone:
CC(C=CC(C)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC12C)C(C)C(O)=NCCS(=O)(=O)O.O=S(=O)(O)O

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 5
HBD: 6 FractionCSP3: 0.86
AlogP: 3.71 Num_rotatable_bonds: 14
MolWt: 858.06 Num_heavy_atoms: 56
TPSA: 273.08 NumAromaticRings: 0

Unique Aglycone
AD00034
Formula: H2O4S

Smiles:
O=S(=O)(O)O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.0
AlogP: -0.65 Num_rotatable_bonds: 0
MolWt: 98.08 Num_heavy_atoms: 5
TPSA: 74.6 NumAromaticRings: 0
AD53696
Formula: C30H49O9NS2

Smiles:
CC(C=CC(C)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC12C)C(C)C(O)=NCCS(=O)(=O)O
HBA: 10 RingCount: 4
HBD: 4 FractionCSP3: 0.83
AlogP: 5.03 Num_rotatable_bonds: 10
MolWt: 631.85 Num_heavy_atoms: 42
TPSA: 170.79 NumAromaticRings: 0

Sugarmoiety
SD00076

CC1OC(O)C(O)C(O)C1O