Glycoside
GD105996
Name:
NoneFormula:
C28H46O11N4Smiles:
C/C(=C\C(=O)NCCC[C@@H]1NC(=O)[C@@H](CCCNC(=O)/C=C(\C)CCO[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)NC1=O)CCOAglycone:
CC(=CC(=O)NCCCC1NC(=O)C(CCCNC(=O)C=C(C)CCO)NC1=O)CCOSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.71 |
| AlogP: | -2.76 | Num_rotatable_bonds: | 17 |
| MolWt: | 614.69 | Num_heavy_atoms: | 43 |
| TPSA: | 236.01 | NumAromaticRings: | 0 |
Unique Aglycone
AD44097
Formula: C22H36O6N4
Smiles:
CC(=CC(=O)NCCCC1NC(=O)C(CCCNC(=O)C=C(C)CCO)NC1=O)CCO| HBA: | 10 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.64 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 14 |
| MolWt: | 452.55 | Num_heavy_atoms: | 32 |
| TPSA: | 156.86 | NumAromaticRings: | 0 |
