Glycoside
...
GD016402

Name:
None

Formula:
C33H44O19N2S2

Smiles:
CC(=O)OC[C@@H]1O[C@@H](S[C@@H]2CC(=NC(N)=S)[C@@H]3OC[C@H]2O3)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1O[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.COC(C)=O.NC(=S)N=C1CC(S)C2COC1O2

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 21 RingCount: 4
HBD: 2 FractionCSP3: 0.73
AlogP: -0.46 Num_rotatable_bonds: 13
MolWt: 836.84 Num_heavy_atoms: 56
TPSA: 268.63 NumAromaticRings: 0

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
AD00928
Formula: C7H10O2N2S2

Smiles:
NC(=S)N=C1CC(S)C2COC1O2
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.71
AlogP: 0.11 Num_rotatable_bonds: 0
MolWt: 218.3 Num_heavy_atoms: 13
TPSA: 56.84 NumAromaticRings: 0

Sugarmoiety
SD00271

CC(=O)OC1C(O)OC(O)C(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1OC(C)=O