Glycoside
GD031437
Name:
NoneFormula:
C31H44O11N6Smiles:
NC[C@@H]1O[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@H](O[C@@H]3O[C@H](COc4ccc(-c5nc6ccccc6[nH]5)cc4)[C@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1ccc(-c2nc3ccccc3[nH]2)cc1.NC1CC(N)C(O)C(O)C1OSugarmoiety:
NC1C(O)C(O)OC(O)C1O.NCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 15 | FractionCSP3: | 0.58 |
| AlogP: | -3.66 | Num_rotatable_bonds: | 9 |
| MolWt: | 676.72 | Num_heavy_atoms: | 48 |
| TPSA: | 300.29 | NumAromaticRings: | 3 |
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 |
AD20253
Formula: C14H12ON2
Smiles:
COc1ccc(-c2nc3ccccc3[nH]2)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.07 |
| AlogP: | 3.24 | Num_rotatable_bonds: | 2 |
| MolWt: | 224.26 | Num_heavy_atoms: | 17 |
| TPSA: | 37.91 | NumAromaticRings: | 3 |
