Glycoside
...
GD003905

Name:
None

Formula:
C34H49O10N5S

Smiles:
CCCCCCCCCCCCCCCC(=O)OCC1OC(N2C(=O)C(=NNC(N)=S)c3ccc([N+](=O)[O-])cc32)C(OC(C)=O)C1OC(C)=O

Aglycone:
CCCCCCCCCCCCCCCC(=O)OC.NC(=S)NN=C1C(=O)Nc2cc([N+](=O)[O-])ccc21

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 15 RingCount: 3
HBD: 3 FractionCSP3: 0.65
AlogP: 5.09 Num_rotatable_bonds: 21
MolWt: 719.86 Num_heavy_atoms: 50
TPSA: 201.99 NumAromaticRings: 1

Unique Aglycone
AD03475
Formula: C17H34O2

Smiles:
CCCCCCCCCCCCCCCC(=O)OC
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.94
AlogP: 5.64 Num_rotatable_bonds: 14
MolWt: 270.46 Num_heavy_atoms: 19
TPSA: 26.3 NumAromaticRings: 0
AD03476
Formula: C9H7O3N5S

Smiles:
NC(=S)NN=C1C(=O)Nc2cc([N+](=O)[O-])ccc21
HBA: 8 RingCount: 2
HBD: 4 FractionCSP3: 0.0
AlogP: 0.08 Num_rotatable_bonds: 2
MolWt: 265.25 Num_heavy_atoms: 18
TPSA: 122.65 NumAromaticRings: 1

Sugarmoiety
SD00105

CC(=O)OC1C(O)OC(O)C1OC(C)=O