Glycoside
GD033207
Name:
NoneFormula:
C17H34O6N4Smiles:
CC=C(C)CNC[C@@H]1O[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@H](O)[C@H]1OAglycone:
CC=C(C)CNC.NC1CC(N)C(O)C(O)C1OSugarmoiety:
NC1C(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 11 | FractionCSP3: | 0.88 |
| AlogP: | -3.52 | Num_rotatable_bonds: | 6 |
| MolWt: | 390.48 | Num_heavy_atoms: | 27 |
| TPSA: | 189.47 | NumAromaticRings: | 0 |
Unique Aglycone
AD00009
Formula: C6H14O3N2
Smiles:
NC1CC(N)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 0 |
| MolWt: | 162.19 | Num_heavy_atoms: | 11 |
| TPSA: | 112.73 | NumAromaticRings: | 0 |
AD21216
Formula: C6H13N
Smiles:
CC=C(C)CNC| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 99.18 | Num_heavy_atoms: | 7 |
| TPSA: | 12.03 | NumAromaticRings: | 0 |
