Glycoside

GD097155
Name:
NoneFormula:
C20H25O10NSSmiles:
O=C(N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)c1cccc(COc2ccccc2)c1Aglycone:
COS(O)(O)O.NC(=O)c1cccc(COc2ccccc2)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 11 | RingCount: | 3 |
HBD: | 7 | FractionCSP3: | 0.35 |
AlogP: | 0.96 | Num_rotatable_bonds: | 8 |
MolWt: | 471.48 | Num_heavy_atoms: | 32 |
TPSA: | 178.17 | NumAromaticRings: | 2 |
Unique Aglycone
AD12993
Formula: CH6O4S
Smiles:
COS(O)(O)OHBA: | 4 | RingCount: | 0 |
HBD: | 3 | FractionCSP3: | 1.0 |
AlogP: | 0.77 | Num_rotatable_bonds: | 1 |
MolWt: | 114.12 | Num_heavy_atoms: | 6 |
TPSA: | 69.92 | NumAromaticRings: | 0 |
AD41301
Formula: C14H13O2N
Smiles:
NC(=O)c1cccc(COc2ccccc2)c1HBA: | 3 | RingCount: | 2 |
HBD: | 2 | FractionCSP3: | 0.07 |
AlogP: | 2.36 | Num_rotatable_bonds: | 4 |
MolWt: | 227.26 | Num_heavy_atoms: | 17 |
TPSA: | 52.32 | NumAromaticRings: | 2 |