Glycoside
GD031874
Name:
NoneFormula:
C31H35O7N3Br2Smiles:
O=C(N[C@@H]1c2ccccc2C[C@H]1O)[C@H](OCC=CBr)[C@H](O)[C@H](O)[C@H](OCC=CBr)c1nnc(CCCc2ccccc2)o1Aglycone:
NC1c2ccccc2CC1O.c1ccc(CCCc2nnco2)cc1Sugarmoiety:
O=C(O)C(OCC=CBr)C(O)C(O)C(O)OCC=CBrOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | 4.0 | Num_rotatable_bonds: | 16 |
| MolWt: | 721.44 | Num_heavy_atoms: | 43 |
| TPSA: | 147.17 | NumAromaticRings: | 3 |
Unique Aglycone
AD00740
Formula: C9H11ON
Smiles:
NC1c2ccccc2CC1O| HBA: | 2 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 0 |
| MolWt: | 149.19 | Num_heavy_atoms: | 11 |
| TPSA: | 46.25 | NumAromaticRings: | 1 |
AD20500
Formula: C11H12ON2
Smiles:
c1ccc(CCCc2nnco2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.27 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 4 |
| MolWt: | 188.23 | Num_heavy_atoms: | 14 |
| TPSA: | 38.92 | NumAromaticRings: | 2 |
