Glycoside
GD033815
Name:
NoneFormula:
C39H68O18N4SSmiles:
O=C(CCCCCO[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)NCCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12Aglycone:
O=C(CCCCCO)NCCCCCCNC(=O)CCCCC1SCC2NC(=O)NC21Sugarmoiety:
OCC1OC(OCC2OC(O)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 5 |
| HBD: | 13 | FractionCSP3: | 0.92 |
| AlogP: | -3.83 | Num_rotatable_bonds: | 25 |
| MolWt: | 913.05 | Num_heavy_atoms: | 62 |
| TPSA: | 336.78 | NumAromaticRings: | 0 |
Unique Aglycone
AD14650
Formula: C22H40O4N4S
Smiles:
O=C(CCCCCO)NCCCCCCNC(=O)CCCCC1SCC2NC(=O)NC21| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 17 |
| MolWt: | 456.65 | Num_heavy_atoms: | 31 |
| TPSA: | 119.56 | NumAromaticRings: | 0 |
