Glycoside
...
GD110493

Name:
None

Formula:
C32H39O12N3S

Smiles:
CCOc1ccc(CNC(=S)N/N=C/c2ccc(O[C@H]3O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)c(OC)c2)cc1

Aglycone:
CCOc1ccc(CNC(=S)NN=Cc2ccc(O)c(OC)c2)cc1.COC(C)=O

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

Other Identifiers

Properties
HBA: 15 RingCount: 3
HBD: 2 FractionCSP3: 0.44
AlogP: 2.55 Num_rotatable_bonds: 14
MolWt: 689.74 Num_heavy_atoms: 48
TPSA: 178.54 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
AD44647
Formula: C18H21O3N3S

Smiles:
CCOc1ccc(CNC(=S)NN=Cc2ccc(O)c(OC)c2)cc1
HBA: 6 RingCount: 2
HBD: 3 FractionCSP3: 0.22
AlogP: 2.8 Num_rotatable_bonds: 7
MolWt: 359.45 Num_heavy_atoms: 25
TPSA: 75.11 NumAromaticRings: 2

Sugarmoiety
SD00012

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