Glycoside
...
GD025309

Name:
None

Formula:
C28H28O10N4S

Smiles:
COc1ccc(-c2c(C#N)c(N)n(C3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)c(=S)c2C#N)cc1

Aglycone:
COC(C)=O.COc1ccc(-c2c(C#N)c(N)[nH]c(=S)c2C#N)cc1

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 2 FractionCSP3: 0.39
AlogP: 2.47 Num_rotatable_bonds: 8
MolWt: 612.62 Num_heavy_atoms: 43
TPSA: 202.19 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
AD05141
Formula: C14H10ON4S

Smiles:
COc1ccc(-c2c(C#N)c(N)[nH]c(=S)c2C#N)cc1
HBA: 5 RingCount: 2
HBD: 3 FractionCSP3: 0.07
AlogP: 2.75 Num_rotatable_bonds: 2
MolWt: 282.33 Num_heavy_atoms: 20
TPSA: 98.62 NumAromaticRings: 2

Sugarmoiety
SD00012

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