Glycoside
GD098401
Name:
NoneFormula:
C22H37O8N3Smiles:
CCC1=N[C@]2(CC[C@@H](C(=O)NCCO[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)CC2)C(=O)N1CCOCAglycone:
CCC1=NC2(CCC(C(=O)NCCO)CC2)C(=O)N1CCOCSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 9 |
| MolWt: | 471.55 | Num_heavy_atoms: | 33 |
| TPSA: | 150.15 | NumAromaticRings: | 0 |
Unique Aglycone
AD41850
Formula: C16H27O4N3
Smiles:
CCC1=NC2(CCC(C(=O)NCCO)CC2)C(=O)N1CCOC| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.81 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 7 |
| MolWt: | 325.41 | Num_heavy_atoms: | 23 |
| TPSA: | 91.23 | NumAromaticRings: | 0 |
