Glycoside
GD087175
Name:
NoneFormula:
C16H21O12NSSmiles:
CC(=O)C(=O)Oc1ccccc1C(=O)N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1OAglycone:
CC(=O)C(=O)Oc1ccccc1C(N)=O.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.44 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 7 |
| MolWt: | 451.41 | Num_heavy_atoms: | 30 |
| TPSA: | 212.31 | 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 |
AD38411
Formula: C10H9O4N
Smiles:
CC(=O)C(=O)Oc1ccccc1C(N)=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 207.18 | Num_heavy_atoms: | 15 |
| TPSA: | 86.46 | NumAromaticRings: | 1 |
