Glycoside
GD037562
Name:
NoneFormula:
C29H32O10N2SSmiles:
CC(=O)N[C@@H]1[C@H](Oc2cccc(C(=O)OCc3ccccc3)c2-c2cccc(NS(C)(=O)=O)c2)O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CS(=O)(=O)Nc1cccc(-c2c(O)cccc2C(=O)OCc2ccccc2)c1Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.31 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 10 |
| MolWt: | 600.65 | Num_heavy_atoms: | 42 |
| TPSA: | 180.72 | NumAromaticRings: | 3 |
Unique Aglycone
AD23645
Formula: C21H19O5NS
Smiles:
CS(=O)(=O)Nc1cccc(-c2c(O)cccc2C(=O)OCc2ccccc2)c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 3.79 | Num_rotatable_bonds: | 6 |
| MolWt: | 397.45 | Num_heavy_atoms: | 28 |
| TPSA: | 92.7 | NumAromaticRings: | 3 |
