Glycoside
GD008615
Name:
NoneFormula:
C21H41O8N5Smiles:
CN[C@@H]1[C@H](O)[C@H](O[C@H]2[C@H](N)C[C@@H](N)[C@@H](O[C@@H]3OC(CNCCO)=CC[C@H]3N)[C@H]2O)OC[C@]1(C)OAglycone:
NC1CC=C(CNCCO)OC1OC1C(N)CC(N)C(O)C1OSugarmoiety:
CNC1C(O)C(O)OCC1(C)OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.9 |
| AlogP: | -4.23 | Num_rotatable_bonds: | 9 |
| MolWt: | 491.59 | Num_heavy_atoms: | 34 |
| TPSA: | 219.96 | NumAromaticRings: | 0 |
Unique Aglycone
AD06856
Formula: C14H28O5N4
Smiles:
NC1CC=C(CNCCO)OC1OC1C(N)CC(N)C(O)C1O| HBA: | 9 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.86 |
| AlogP: | -3.31 | Num_rotatable_bonds: | 6 |
| MolWt: | 332.4 | Num_heavy_atoms: | 23 |
| TPSA: | 169.24 | NumAromaticRings: | 0 |
