Glycoside
GD103605
Name:
NoneFormula:
C23H27O9NSSmiles:
O=C(CCc1c2ccccc2cc2ccccc12)N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1OAglycone:
COS(O)(O)O.NC(=O)CCc1c2ccccc2cc2ccccc12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.35 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 7 |
| MolWt: | 493.53 | Num_heavy_atoms: | 34 |
| TPSA: | 168.94 | NumAromaticRings: | 3 |
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 |
AD43830
Formula: C17H15ON
Smiles:
NC(=O)CCc1c2ccccc2cc2ccccc12| HBA: | 2 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 3.41 | Num_rotatable_bonds: | 3 |
| MolWt: | 249.31 | Num_heavy_atoms: | 19 |
| TPSA: | 43.09 | NumAromaticRings: | 3 |
