Glycoside
GD093564
Name:
NoneFormula:
C14H23O14NSSmiles:
CC(=O)N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1OAglycone:
COS(O)(O)O.O=C(O)C1=CC(O)C(O)C(O)O1Sugarmoiety:
CC(=O)NC1C(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.71 |
| AlogP: | -2.84 | Num_rotatable_bonds: | 7 |
| MolWt: | 461.4 | Num_heavy_atoms: | 30 |
| TPSA: | 244.93 | NumAromaticRings: | 0 |
Unique Aglycone
AD03451
Formula: C6H8O6
Smiles:
O=C(O)C1=CC(O)C(O)C(O)O1| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.97 | Num_rotatable_bonds: | 1 |
| MolWt: | 176.12 | Num_heavy_atoms: | 12 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
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 |
