Glycoside
GD094777
Name:
NoneFormula:
C16H26O11N2SSmiles:
CCOC(=O)c1cnc(N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)cc1OCCAglycone:
CCOC(=O)c1cnc(N)cc1OCC.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 9 |
| MolWt: | 454.45 | Num_heavy_atoms: | 30 |
| TPSA: | 200.29 | NumAromaticRings: | 1 |
Unique Aglycone
AD12993
Formula: CH6O4S
Smiles:
COS(O)(O)O| HBA: | 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 |
AD40546
Formula: C10H14O3N2
Smiles:
CCOC(=O)c1cnc(N)cc1OCC| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 4 |
| MolWt: | 210.23 | Num_heavy_atoms: | 15 |
| TPSA: | 74.44 | NumAromaticRings: | 1 |
