Glycoside
GD016403
Name:
NoneFormula:
C33H36O12N2SSmiles:
CN(C)c1cccc2c(S(=O)(=O)Nc3cc(CCC(=O)c4c(O)cc(O)cc4O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)ccc3O)cccc12Aglycone:
CN(C)c1cccc2c(S(=O)(=O)Nc3cc(CCC(=O)c4c(O)cc(O)cc4O)ccc3O)cccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.3 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 11 |
| MolWt: | 684.72 | Num_heavy_atoms: | 48 |
| TPSA: | 226.55 | NumAromaticRings: | 4 |
Unique Aglycone
AD11814
Formula: C27H26O7N2S
Smiles:
CN(C)c1cccc2c(S(=O)(=O)Nc3cc(CCC(=O)c4c(O)cc(O)cc4O)ccc3O)cccc12| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.15 |
| AlogP: | 4.34 | Num_rotatable_bonds: | 8 |
| MolWt: | 522.58 | Num_heavy_atoms: | 37 |
| TPSA: | 147.4 | NumAromaticRings: | 4 |
