Glycoside

GD027224
Name:
NoneFormula:
C34H51O19N3SSmiles:
CN(C)c1cccc2c(S(=O)(=O)N(CCO[C@@H]3O[C@H](CO)[C@H](O[C@@H]4O[C@H](CO)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)CC(N)=O)cccc12Aglycone:
CN(C)c1cccc2c(S(=O)(=O)N(CCO)CC(N)=O)cccc12Sugarmoiety:
OCC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 22 | RingCount: | 5 |
HBD: | 12 | FractionCSP3: | 0.68 |
AlogP: | -6.15 | Num_rotatable_bonds: | 16 |
MolWt: | 837.85 | Num_heavy_atoms: | 57 |
TPSA: | 341.39 | NumAromaticRings: | 2 |
Unique Aglycone
AD10696
Formula: C16H21O4N3S
Smiles:
CN(C)c1cccc2c(S(=O)(=O)N(CCO)CC(N)=O)cccc12HBA: | 7 | RingCount: | 2 |
HBD: | 3 | FractionCSP3: | 0.31 |
AlogP: | 0.37 | Num_rotatable_bonds: | 7 |
MolWt: | 351.43 | Num_heavy_atoms: | 24 |
TPSA: | 103.94 | NumAromaticRings: | 2 |