Glycoside
GD008226
Name:
NoneFormula:
C25H44O8N4Smiles:
CCCCCN(CCCCC)C[C@H](O[C@@H]1O[C@H](CN)[C@H](O)[C@H]1O)[C@@H]1C[C@H](O)[C@H](n2ccc(=O)[nH]c2=O)O1Aglycone:
CCCCCN(CCCCC)CC(O)C1CC(O)C(n2ccc(=O)[nH]c2=O)O1Sugarmoiety:
NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.84 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 15 |
| MolWt: | 528.65 | Num_heavy_atoms: | 37 |
| TPSA: | 172.5 | NumAromaticRings: | 1 |
Unique Aglycone
AD06595
Formula: C20H35O5N3
Smiles:
CCCCCN(CCCCC)CC(O)C1CC(O)C(n2ccc(=O)[nH]c2=O)O1| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 12 |
| MolWt: | 397.52 | Num_heavy_atoms: | 28 |
| TPSA: | 107.79 | NumAromaticRings: | 1 |
