Glycoside
...
GD013457

Name:
None

Formula:
C25H29O13N3S

Smiles:
CSc1nc(NC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c2c(OC(C)=O)c(C)c(=O)oc2n1

Aglycone:
COC(C)=O.CSc1nc(N)c2c(OC(C)=O)c(C)c(=O)oc2n1

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

Other Identifiers

Properties
HBA: 16 RingCount: 3
HBD: 1 FractionCSP3: 0.52
AlogP: 1.03 Num_rotatable_bonds: 9
MolWt: 611.58 Num_heavy_atoms: 42
TPSA: 208.75 NumAromaticRings: 2

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD02929
Formula: C11H11O4N3S

Smiles:
CSc1nc(N)c2c(OC(C)=O)c(C)c(=O)oc2n1
HBA: 7 RingCount: 2
HBD: 2 FractionCSP3: 0.27
AlogP: 1.12 Num_rotatable_bonds: 2
MolWt: 281.29 Num_heavy_atoms: 19
TPSA: 108.31 NumAromaticRings: 2

Sugarmoiety
SD00012

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