Glycoside
GD026354
Name:
NoneFormula:
C35H57O15N7SSmiles:
CC(=O)N[C@@H]1C(O)O[C@H](CO)[C@H](O)[C@H]1O[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(=O)N[C@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C(=O)O)C(=O)OAglycone:
CC(O)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCCNC(=O)CCCCC1SCC2NC(=O)NC21)C(=O)O)C(=O)OSugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.77 |
| AlogP: | -3.23 | Num_rotatable_bonds: | 24 |
| MolWt: | 847.94 | Num_heavy_atoms: | 58 |
| TPSA: | 340.38 | NumAromaticRings: | 0 |
Unique Aglycone
AD17378
Formula: C27H44O10N6S
Smiles:
CC(O)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCCNC(=O)CCCCC1SCC2NC(=O)NC21)C(=O)O)C(=O)O| HBA: | 16 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.74 |
| AlogP: | -1.2 | Num_rotatable_bonds: | 20 |
| MolWt: | 644.75 | Num_heavy_atoms: | 44 |
| TPSA: | 252.36 | NumAromaticRings: | 0 |
