Glycoside
GD037541
Name:
NoneFormula:
C30H35O9NSSmiles:
CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1OCc1ccc(COc2cc(C)cc(CS(=O)(=O)c3ccccc3)c2)cc1Aglycone:
Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CO)cc2)c1Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 11 |
| MolWt: | 585.68 | Num_heavy_atoms: | 41 |
| TPSA: | 151.62 | NumAromaticRings: | 3 |
Unique Aglycone
AD06751
Formula: C22H22O4S
Smiles:
Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CO)cc2)c1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 4.04 | Num_rotatable_bonds: | 7 |
| MolWt: | 382.48 | Num_heavy_atoms: | 27 |
| TPSA: | 63.6 | NumAromaticRings: | 3 |
