Glycoside
GD006618
Name:
NoneFormula:
C29H55O18N5Smiles:
NC[C@@H]1O[C@H](O[C@@H]2[C@H](CO)O[C@H](O[C@H]3[C@H](O[C@@H]4O[C@H](CO)[C@H](O)C[C@H]4N)[C@@H](N)C[C@@H](N)[C@H]3O)[C@H]2O)[C@H](N)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1OAglycone:
NC1CC(O)C(CO)OC1OC1C(N)CC(N)C(O)C1OSugarmoiety:
NCC1OC(OC2C(CO)OC(O)C2O)C(N)C(OC2OC(CO)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 5 |
| HBD: | 20 | FractionCSP3: | 1.0 |
| AlogP: | -10.01 | Num_rotatable_bonds: | 12 |
| MolWt: | 761.78 | Num_heavy_atoms: | 52 |
| TPSA: | 406.24 | NumAromaticRings: | 0 |
Unique Aglycone
AD05463
Formula: C12H25O6N3
Smiles:
NC1CC(O)C(CO)OC1OC1C(N)CC(N)C(O)C1O| HBA: | 9 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 1.0 |
| AlogP: | -4.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 307.35 | Num_heavy_atoms: | 21 |
| TPSA: | 177.44 | NumAromaticRings: | 0 |
