Glycoside
...
GD007446

Name:
None

Formula:
C30H30O9N2S2

Smiles:
CC(=O)OCC1OC(N2C(c3ccccc3)=CC(c3cccs3)C(C#N)=C2S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:
COC(C)=O.N#CC1=C(S)NC(c2ccccc2)=CC1c1cccs1

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

Other Identifiers

Properties
HBA: 11 RingCount: 4
HBD: 0 FractionCSP3: 0.37
AlogP: 3.94 Num_rotatable_bonds: 8
MolWt: 626.71 Num_heavy_atoms: 43
TPSA: 141.46 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
AD06067
Formula: C16H12N2S2

Smiles:
N#CC1=C(S)NC(c2ccccc2)=CC1c1cccs1
HBA: 2 RingCount: 3
HBD: 1 FractionCSP3: 0.06
AlogP: 4.14 Num_rotatable_bonds: 2
MolWt: 296.42 Num_heavy_atoms: 20
TPSA: 35.82 NumAromaticRings: 2

Sugarmoiety
SD00012

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