Glycoside
GD036870
Name:
NoneFormula:
C30H44O13N4Smiles:
COc1ccc2cc(C(=O)NC[C@@H]3O[C@H](O[C@@H]4[C@H](N)C[C@H](N)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](N)[C@H]5O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)ccc2c1Aglycone:
CNC(=O)c1ccc2cc(OC)ccc2c1.NC1CC(N)C(O)C(O)C1OSugarmoiety:
NC1C(O)C(O)OC(CO)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 14 | FractionCSP3: | 0.63 |
| AlogP: | -4.66 | Num_rotatable_bonds: | 9 |
| MolWt: | 668.7 | Num_heavy_atoms: | 47 |
| TPSA: | 294.92 | 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 |
AD23246
Formula: C13H13O2N
Smiles:
CNC(=O)c1ccc2cc(OC)ccc2c1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 2.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 215.25 | Num_heavy_atoms: | 16 |
| TPSA: | 38.33 | NumAromaticRings: | 2 |
