Glycoside

GD002991
Name:
NoneFormula:
C26H44O15NPS3Smiles:
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)=OAglycone:
COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)CSugarmoiety:
CC(=O)OC1C(O)OC(S(N)(=O)=O)C(OC(C)=O)C1OC(C)=OOther 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)CHBA: | 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 |