Glycoside
GD081020
Name:
NoneFormula:
C17H28O7N4Smiles:
CC(=O)N[C@H]1[C@H](OCCn2cc(C3CCOCC3)nn2)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
OCCn1cc(C2CCOCC2)nn1Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.82 |
| AlogP: | -1.87 | Num_rotatable_bonds: | 7 |
| MolWt: | 400.43 | Num_heavy_atoms: | 28 |
| TPSA: | 148.19 | NumAromaticRings: | 1 |
Unique Aglycone
AD31959
Formula: C9H15O2N3
Smiles:
OCCn1cc(C2CCOCC2)nn1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.78 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 197.24 | Num_heavy_atoms: | 14 |
| TPSA: | 60.17 | NumAromaticRings: | 1 |
