Glycoside
...
GD002991

Name:
None

Formula:
C26H44O15NPS3

Smiles:
CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C)O[C@H]1S(N)(=O)=O

Aglycone:
COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C

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

Other Identifiers

Properties
HBA: 16 RingCount: 1
HBD: 2 FractionCSP3: 0.81
AlogP: 2.56 Num_rotatable_bonds: 15
MolWt: 737.81 Num_heavy_atoms: 46
TPSA: 227.19 NumAromaticRings: 0

Unique Aglycone
AD01206
Formula: C15H29O6PS2

Smiles:
COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C
HBA: 6 RingCount: 0
HBD: 0 FractionCSP3: 0.87
AlogP: 4.39 Num_rotatable_bonds: 9
MolWt: 400.5 Num_heavy_atoms: 24
TPSA: 78.9 NumAromaticRings: 0

Sugarmoiety
SD00659

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