Glycoside
...
GD109583

Name:
None

Formula:
C26H30O10N2S2

Smiles:
CC(=O)OC[C@@H]1O[C@@H](N2C(=O)/C(=C\c3ccc(N(C)C)cc3)SC2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CN(C)c1ccc(C=C2SC(=S)NC2=O)cc1.COC(C)=O

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 0 FractionCSP3: 0.46
AlogP: 2.04 Num_rotatable_bonds: 8
MolWt: 594.66 Num_heavy_atoms: 40
TPSA: 137.98 NumAromaticRings: 1

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
AD44560
Formula: C12H12ON2S2

Smiles:
CN(C)c1ccc(C=C2SC(=S)NC2=O)cc1
HBA: 3 RingCount: 2
HBD: 1 FractionCSP3: 0.17
AlogP: 2.24 Num_rotatable_bonds: 2
MolWt: 264.37 Num_heavy_atoms: 17
TPSA: 32.34 NumAromaticRings: 1

Sugarmoiety
SD00012

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