Glycoside
GD005752
Name:
NoneFormula:
C31H54O15N6Smiles:
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]2OCCNc2cccc(O)c2)[C@H](N)[C@H](O)[C@H]1OAglycone:
NC1CC(N)C(O)C(O)C1O.OCCNc1cccc(O)c1Sugarmoiety:
NC1C(O)OC(CO)C(O)C1O.NCC1OC(OC2C(CO)OC(O)C2O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 5 |
| HBD: | 19 | FractionCSP3: | 0.81 |
| AlogP: | -7.02 | Num_rotatable_bonds: | 14 |
| MolWt: | 750.8 | Num_heavy_atoms: | 52 |
| TPSA: | 368.58 | 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 |
AD04839
Formula: C8H11O2N
Smiles:
OCCNc1cccc(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 3 |
| MolWt: | 153.18 | Num_heavy_atoms: | 11 |
| TPSA: | 52.49 | NumAromaticRings: | 1 |
