Glycoside
...
GD018695

Name:
None

Formula:
C30H32O10N2S

Smiles:
COc1ccc(-c2c3c(n(C4OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C4OC(C)=O)c(=S)c2C#N)CCC3)cc1

Aglycone:
COC(C)=O.COc1ccc(-c2c3c([nH]c(=S)c2C#N)CCC3)cc1

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

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 0 FractionCSP3: 0.47
AlogP: 3.51 Num_rotatable_bonds: 8
MolWt: 612.66 Num_heavy_atoms: 43
TPSA: 152.38 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
AD12927
Formula: C16H14ON2S

Smiles:
COc1ccc(-c2c3c([nH]c(=S)c2C#N)CCC3)cc1
HBA: 3 RingCount: 3
HBD: 1 FractionCSP3: 0.25
AlogP: 3.78 Num_rotatable_bonds: 2
MolWt: 282.37 Num_heavy_atoms: 20
TPSA: 48.81 NumAromaticRings: 2

Sugarmoiety
SD00012

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