Glycoside
GD029894
Name:
NoneFormula:
C28H48O14N4Smiles:
CC(=CC(=O)N(O)CCC[C@@H]1NC(=O)[C@H](CCCN(O)C(=O)C[C@@](C)(O)CCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)NC1=O)CCOAglycone:
CC(=CC(=O)N(O)CCCC1NC(=O)C(CCCN(O)C(=O)CC(C)(O)CCO)NC1=O)CCOSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.79 |
| AlogP: | -3.36 | Num_rotatable_bonds: | 18 |
| MolWt: | 664.71 | Num_heavy_atoms: | 46 |
| TPSA: | 279.12 | NumAromaticRings: | 0 |
Unique Aglycone
AD19392
Formula: C22H38O9N4
Smiles:
CC(=CC(=O)N(O)CCCC1NC(=O)C(CCCN(O)C(=O)CC(C)(O)CCO)NC1=O)CCO| HBA: | 13 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.73 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 15 |
| MolWt: | 502.57 | Num_heavy_atoms: | 35 |
| TPSA: | 199.97 | NumAromaticRings: | 0 |
