Glycoside
...
GD006564

Name:
None

Formula:
C30H35O13N5S2

Smiles:
CNC(S[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)=C(C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1

Aglycone:
CNC(S)=C(C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1.COC(C)=O

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

Other Identifiers

Properties
HBA: 18 RingCount: 3
HBD: 3 FractionCSP3: 0.43
AlogP: 1.8 Num_rotatable_bonds: 13
MolWt: 737.77 Num_heavy_atoms: 50
TPSA: 251.55 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
AD05423
Formula: C16H17O4N5S2

Smiles:
CNC(S)=C(C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1
HBA: 9 RingCount: 2
HBD: 3 FractionCSP3: 0.19
AlogP: 1.92 Num_rotatable_bonds: 6
MolWt: 407.48 Num_heavy_atoms: 27
TPSA: 137.12 NumAromaticRings: 2

Sugarmoiety
SD00012

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