Glycoside
GD008696
Name:
NoneFormula:
C36H58O15N4S2Smiles:
CC(C)(COC(=O)NCCCNC(=O)CCCCC1CCSS1)[N+]([O-])=Cc1ccc(CNC(=O)[C@H](O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)CO)cc1Aglycone:
CC(C)(COC(=O)NCCCNC(=O)CCCCC1CCSS1)[N+]([O-])=Cc1ccc(C[NH])cc1Sugarmoiety:
O=CC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)COOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.72 |
| AlogP: | -1.78 | Num_rotatable_bonds: | 23 |
| MolWt: | 851.01 | Num_heavy_atoms: | 57 |
| TPSA: | 302.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD06912
Formula: C24H37O4N4S2
Smiles:
CC(C)(COC(=O)NCCCNC(=O)CCCCC1CCSS1)[N+]([O-])=Cc1ccc(C[NH])cc1| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.62 |
| AlogP: | 4.12 | Num_rotatable_bonds: | 14 |
| MolWt: | 509.72 | Num_heavy_atoms: | 34 |
| TPSA: | 117.3 | NumAromaticRings: | 1 |
