Glycoside
GD015683
Name:
NoneFormula:
C33H54O11N4S3Smiles:
CCC[C@@H]1C[C@H](C(=O)NC([C@H](C)SCCOCCSCC(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@H]2O)N(C)C1Aglycone:
CCCC1CC(C(=O)NCC(C)SCCOCCSCC(=O)NC(CO)C(O)c2ccc([N+](=O)[O-])cc2)N(C)C1Sugarmoiety:
CSC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.76 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 21 |
| MolWt: | 779.01 | Num_heavy_atoms: | 51 |
| TPSA: | 224.19 | NumAromaticRings: | 1 |
Unique Aglycone
AD11366
Formula: C27H44O7N4S2
Smiles:
CCCC1CC(C(=O)NCC(C)SCCOCCSCC(=O)NC(CO)C(O)c2ccc([N+](=O)[O-])cc2)N(C)C1| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.7 |
| AlogP: | 2.21 | Num_rotatable_bonds: | 19 |
| MolWt: | 600.8 | Num_heavy_atoms: | 40 |
| TPSA: | 154.27 | NumAromaticRings: | 1 |
