Glycoside
GD004200
Name:
NoneFormula:
C37H58O11N4Smiles:
CO[C@@H]1[C@@H](O[C@@H]2[C@H](N)C[C@H](N)[C@H](O[C@@H]3O[C@H](COCc4ccccc4)[C@H](OCc4ccccc4)[C@H](N)[C@H]3OC)[C@H]2OC)O[C@@H](CN)[C@@H](OC)[C@H]1OCAglycone:
COC1C(O)C(N)CC(N)C1O.COCc1ccccc1.OCc1ccccc1Sugarmoiety:
COC1C(O)OC(CN)C(OC)C1OC.COC1C(O)OC(O)C(O)C1NOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.68 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 17 |
| MolWt: | 734.89 | Num_heavy_atoms: | 52 |
| TPSA: | 205.61 | NumAromaticRings: | 2 |
Unique Aglycone
AD00042
Formula: C8H10O
Smiles:
COCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD00895
Formula: C7H16O3N2
Smiles:
COC1C(O)C(N)CC(N)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -2.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 176.22 | Num_heavy_atoms: | 12 |
| TPSA: | 101.73 | NumAromaticRings: | 0 |
