Glycoside
GD094527
Name:
NoneFormula:
C19H29O12NSSmiles:
COc1cc(C(=O)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)ccc1OC1CCOCC1Aglycone:
COS(O)(O)O.COc1cc(C(N)=O)ccc1OC1CCOCC1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.63 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 8 |
| MolWt: | 495.5 | Num_heavy_atoms: | 33 |
| TPSA: | 196.63 | 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 |
AD36986
Formula: C13H17O4N
Smiles:
COc1cc(C(N)=O)ccc1OC1CCOCC1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.46 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 4 |
| MolWt: | 251.28 | Num_heavy_atoms: | 18 |
| TPSA: | 70.78 | NumAromaticRings: | 1 |
