Glycoside
GD035632
Name:
NoneFormula:
C28H46O13N4Smiles:
CC(=CC(=O)N(O)CCC[C@@H]1NC(=O)[C@H](CCCN(O)C(=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)N(O)CCCC1NC(=O)C(CCCN(O)C(=O)C=C(C)CCO)NC1=O)CCOSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.71 |
| AlogP: | -2.55 | Num_rotatable_bonds: | 17 |
| MolWt: | 646.69 | Num_heavy_atoms: | 45 |
| TPSA: | 258.89 | NumAromaticRings: | 0 |
Unique Aglycone
AD22535
Formula: C22H36O8N4
Smiles:
CC(=CC(=O)N(O)CCCC1NC(=O)C(CCCN(O)C(=O)C=C(C)CCO)NC1=O)CCO| HBA: | 12 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.64 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 14 |
| MolWt: | 484.55 | Num_heavy_atoms: | 34 |
| TPSA: | 179.74 | NumAromaticRings: | 0 |
