Glycoside
GD031438
Name:
NoneFormula:
C25H42O12N4Smiles:
COc1ccc(OC[C@@H]2O[C@H](O[C@H]3[C@H](O)[C@@H](O[C@@H]4O[C@H](CN)[C@H](O)[C@H](O)[C@H]4O)[C@@H](N)C[C@H]3N)[C@H](O)[C@H](N)[C@H]2O)cc1Aglycone:
COc1ccc(OC)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: | 16 | RingCount: | 4 |
| HBD: | 14 | FractionCSP3: | 0.76 |
| AlogP: | -5.2 | Num_rotatable_bonds: | 9 |
| MolWt: | 590.63 | Num_heavy_atoms: | 41 |
| TPSA: | 280.84 | 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 |
AD06890
Formula: C8H10O2
Smiles:
COc1ccc(OC)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 138.17 | Num_heavy_atoms: | 10 |
| TPSA: | 18.46 | NumAromaticRings: | 1 |
