Glycoside
GD073851
Name:
NoneFormula:
C16H26O7N4Smiles:
CC(=O)N[C@H]1[C@H](OCCn2cc(C3(C)COC3)nn2)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
CC1(c2cn(CCO)nn2)COC1Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.81 |
| AlogP: | -2.47 | Num_rotatable_bonds: | 7 |
| MolWt: | 386.41 | Num_heavy_atoms: | 27 |
| TPSA: | 148.19 | NumAromaticRings: | 1 |
Unique Aglycone
AD28744
Formula: C8H13O2N3
Smiles:
CC1(c2cn(CCO)nn2)COC1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 3 |
| MolWt: | 183.21 | Num_heavy_atoms: | 13 |
| TPSA: | 60.17 | NumAromaticRings: | 1 |
