Glycoside
GD017340
Name:
NoneFormula:
C31H56O14N8Smiles:
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@H](O)[C@H]4N)[C@@H](N)C[C@@H](N)[C@H]3O)[C@H]2OCCNCc2ccc(N)nc2)[C@H](N)[C@H](O)[C@H]1OAglycone:
NC1CC(N)C(O)C(O)C1O.Nc1ccc(CNCCO)cn1Sugarmoiety:
NC1C(O)OC(CO)C(O)C1O.NCC1OC(OC2C(CO)OC(O)C2O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 5 |
| HBD: | 20 | FractionCSP3: | 0.84 |
| AlogP: | -8.07 | Num_rotatable_bonds: | 15 |
| MolWt: | 764.83 | Num_heavy_atoms: | 53 |
| TPSA: | 387.26 | NumAromaticRings: | 1 |
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 |
AD12379
Formula: C8H13ON3
Smiles:
Nc1ccc(CNCCO)cn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 4 |
| MolWt: | 167.21 | Num_heavy_atoms: | 12 |
| TPSA: | 71.17 | NumAromaticRings: | 1 |
