Glycoside
...
GD020032

Name:
None

Formula:
C36H46O16N8S2

Smiles:
CSc1nc(NC2OCC(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(N=CC=Nc2c(NC3OCC(OC(C)=O)C(OC(C)=O)C3OC(C)=O)nc(SC)n(C)c2=O)c(=O)n1C

Aglycone:
CSc1nc(N)c(N=CC=Nc2c(N)nc(SC)n(C)c2=O)c(=O)n1C

Sugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=O.CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 24 RingCount: 4
HBD: 2 FractionCSP3: 0.56
AlogP: 0.55 Num_rotatable_bonds: 15
MolWt: 910.94 Num_heavy_atoms: 62
TPSA: 294.82 NumAromaticRings: 2

Unique Aglycone
AD00653
Formula: C14H18O2N8S2

Smiles:
CSc1nc(N)c(N=CC=Nc2c(N)nc(SC)n(C)c2=O)c(=O)n1C
HBA: 10 RingCount: 2
HBD: 4 FractionCSP3: 0.29
AlogP: 0.59 Num_rotatable_bonds: 5
MolWt: 394.49 Num_heavy_atoms: 26
TPSA: 146.54 NumAromaticRings: 2

Sugarmoiety
SD00723

CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=O.CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=O