Glycoside
GD073849
Name:
NoneFormula:
C17H28O6N4Smiles:
CC(=O)N[C@H]1[C@H](OCCn2cc(C3CCCC3)nn2)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
OCCn1cc(C2CCCC2)nn1Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.82 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 7 |
| MolWt: | 384.43 | Num_heavy_atoms: | 27 |
| TPSA: | 138.96 | NumAromaticRings: | 1 |
Unique Aglycone
AD28761
Formula: C9H15ON3
Smiles:
OCCn1cc(C2CCCC2)nn1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.78 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 3 |
| MolWt: | 181.24 | Num_heavy_atoms: | 13 |
| TPSA: | 50.94 | NumAromaticRings: | 1 |
