Glycoside
GD022576
Name:
NoneFormula:
C42H68O14N6Smiles:
NC[C@@H]1O[C@H](O[C@@H]2[C@H](CO)O[C@H](O[C@@H]3C(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]2OCCN(CCCc2ccccc2)CCc2ccccc2)[C@H](N)[C@H](O)[C@H]1OAglycone:
NC1CC(N)C(O)C(O)C1O.OCCN(CCCc1ccccc1)CCc1ccccc1Sugarmoiety:
NC1C(O)OC(CO)C(O)C1O.NCC1OC(OC2C(CO)OC(O)C2O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 17 | FractionCSP3: | 0.71 |
| AlogP: | -4.66 | Num_rotatable_bonds: | 20 |
| MolWt: | 881.03 | Num_heavy_atoms: | 62 |
| TPSA: | 339.56 | NumAromaticRings: | 2 |
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 |
AD15287
Formula: C19H25ON
Smiles:
OCCN(CCCc1ccccc1)CCc1ccccc1| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.37 |
| AlogP: | 3.16 | Num_rotatable_bonds: | 9 |
| MolWt: | 283.42 | Num_heavy_atoms: | 21 |
| TPSA: | 23.47 | NumAromaticRings: | 2 |
