Glycoside
...
GD020425

Name:
None

Formula:
C31H32O12N2S2

Smiles:
CCOC(=O)c1ccc(N2C(=O)C(=Cc3cccs3)N=C2SC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)cc1

Aglycone:
CCOC(=O)c1ccc(N2C(=O)C(=Cc3cccs3)N=C2S)cc1.COC(C)=O

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

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 0 FractionCSP3: 0.39
AlogP: 3.48 Num_rotatable_bonds: 10
MolWt: 688.73 Num_heavy_atoms: 47
TPSA: 173.4 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
AD14102
Formula: C17H14O3N2S2

Smiles:
CCOC(=O)c1ccc(N2C(=O)C(=Cc3cccs3)N=C2S)cc1
HBA: 5 RingCount: 3
HBD: 0 FractionCSP3: 0.12
AlogP: 3.6 Num_rotatable_bonds: 4
MolWt: 358.44 Num_heavy_atoms: 24
TPSA: 58.97 NumAromaticRings: 2

Sugarmoiety
SD00012

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