Glycoside
...
GD120390

Name:
None

Formula:
C43H62O14N2S5

Smiles:
COC(O)=NC1=C2C(=CCS(C)(=S)=S)C(O)(C#CC=CC#CC2OC2OC(C)C(SC)(C(CO)OC3CC(O)C(SC)C(C)O3)C(O)C2OC2CC(OC)C(NC(C)C)CO2)CC1=O

Aglycone:
COC(O)=NC1=C2C(=CCS(C)(=S)=S)C(O)(C#CC=CC#CC2O)CC1=O.COC1CC(O)OCC1NC(C)C.CSC1C(O)CC(OCCO)OC1C

Sugarmoiety:
CSC1(O)C(C)OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 5
HBD: 6 FractionCSP3: 0.72
AlogP: 1.43 Num_rotatable_bonds: 16
MolWt: 991.3 Num_heavy_atoms: 64
TPSA: 216.45 NumAromaticRings: 0

Unique Aglycone
AD02411
Formula: C9H19O3N

Smiles:
COC1CC(O)OCC1NC(C)C
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 1.0
AlogP: 0.11 Num_rotatable_bonds: 3
MolWt: 189.26 Num_heavy_atoms: 13
TPSA: 50.72 NumAromaticRings: 0
AD48361
Formula: C18H17O5NS3

Smiles:
COC(O)=NC1=C2C(=CCS(C)(=S)=S)C(O)(C#CC=CC#CC2O)CC1=O
HBA: 6 RingCount: 2
HBD: 3 FractionCSP3: 0.33
AlogP: 0.08 Num_rotatable_bonds: 3
MolWt: 423.54 Num_heavy_atoms: 27
TPSA: 99.35 NumAromaticRings: 0
AD48362
Formula: C9H18O4S

Smiles:
CSC1C(O)CC(OCCO)OC1C
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 1.0
AlogP: 0.22 Num_rotatable_bonds: 4
MolWt: 222.31 Num_heavy_atoms: 14
TPSA: 58.92 NumAromaticRings: 0

Sugarmoiety
SD05607

CSC1(O)C(C)OC(O)C(O)C1O