Glycoside

GD015080
Name:
NoneFormula:
C20H37O27N3S4Smiles:
O=C(O)[C@@H]1O[C@H](O[C@@H]2[C@H](COS(=O)(=O)O)O[C@H](OCCNS(=O)(=O)O)[C@H](NS(=O)(=O)O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NS(=O)(=O)OAglycone:
COS(=O)(=O)O.NS(=O)(=O)O.NS(=O)(=O)O.O=S(=O)(O)NCCOSugarmoiety:
O=C(O)C1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 30 | RingCount: | 3 |
HBD: | 14 | FractionCSP3: | 0.95 |
AlogP: | -9.44 | Num_rotatable_bonds: | 18 |
MolWt: | 879.78 | Num_heavy_atoms: | 54 |
TPSA: | 476.86 | NumAromaticRings: | 0 |
Unique Aglycone
AD00053
Formula: CH4O4S
Smiles:
COS(=O)(=O)OHBA: | 4 | RingCount: | 0 |
HBD: | 1 | FractionCSP3: | 1.0 |
AlogP: | -0.56 | Num_rotatable_bonds: | 1 |
MolWt: | 112.11 | Num_heavy_atoms: | 6 |
TPSA: | 63.6 | NumAromaticRings: | 0 |
AD00083
Formula: H3O3NS
Smiles:
NS(=O)(=O)OHBA: | 4 | RingCount: | 0 |
HBD: | 3 | FractionCSP3: | 0.0 |
AlogP: | -1.25 | Num_rotatable_bonds: | 0 |
MolWt: | 97.09 | Num_heavy_atoms: | 5 |
TPSA: | 80.39 | NumAromaticRings: | 0 |
AD03096
Formula: C2H7O4NS
Smiles:
O=S(=O)(O)NCCOHBA: | 5 | RingCount: | 0 |
HBD: | 3 | FractionCSP3: | 1.0 |
AlogP: | -1.63 | Num_rotatable_bonds: | 3 |
MolWt: | 141.15 | Num_heavy_atoms: | 8 |
TPSA: | 86.63 | NumAromaticRings: | 0 |