Glycoside
GD034348
Name:
NoneFormula:
C37H62O12N4S5Smiles:
CCC[C@@H]1C[C@H](C(=O)NC([C@H](C)SCCOCCSSCCOCCSCC(=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)SCCOCCSSCCOCCSCC(=O)NC(CO)C(O)c2ccc([N+](=O)[O-])cc2)N(C)C1Sugarmoiety:
CSC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.78 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 28 |
| MolWt: | 915.25 | Num_heavy_atoms: | 58 |
| TPSA: | 233.42 | NumAromaticRings: | 1 |
Unique Aglycone
AD21842
Formula: C31H52O8N4S4
Smiles:
CCCC1CC(C(=O)NCC(C)SCCOCCSSCCOCCSCC(=O)NC(CO)C(O)c2ccc([N+](=O)[O-])cc2)N(C)C1| HBA: | 12 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.74 |
| AlogP: | 3.61 | Num_rotatable_bonds: | 26 |
| MolWt: | 737.05 | Num_heavy_atoms: | 47 |
| TPSA: | 163.5 | NumAromaticRings: | 1 |
