Glycoside
...
GD020454

Name:
None

Formula:
C27H26O10N4S

Smiles:
COc1ccc(-c2c(C#N)c(N)nc(S[C@@H]3O[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c2C#N)cc1

Aglycone:
COc1ccc(-c2c(C#N)c(N)nc(S)c2C#N)cc1

Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 2 FractionCSP3: 0.37
AlogP: 2.22 Num_rotatable_bonds: 8
MolWt: 598.59 Num_heavy_atoms: 42
TPSA: 210.15 NumAromaticRings: 2

Unique Aglycone
AD13028
Formula: C14H10ON4S

Smiles:
COc1ccc(-c2c(C#N)c(N)nc(S)c2C#N)cc1
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.07
AlogP: 2.37 Num_rotatable_bonds: 2
MolWt: 282.33 Num_heavy_atoms: 20
TPSA: 95.72 NumAromaticRings: 2

Sugarmoiety
SD00257

CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O