Glycoside
GD079649
Name:
NoneFormula:
C15H23O10NSSmiles:
O=C(COCc1ccccc1)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)COCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.53 |
| AlogP: | -0.72 | Num_rotatable_bonds: | 8 |
| MolWt: | 409.41 | Num_heavy_atoms: | 27 |
| TPSA: | 178.17 | NumAromaticRings: | 1 |
Unique Aglycone
AD11597
Formula: C9H11O2N
Smiles:
NC(=O)COCc1ccccc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 4 |
| MolWt: | 165.19 | Num_heavy_atoms: | 12 |
| TPSA: | 52.32 | NumAromaticRings: | 1 |
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 |
