Glycoside
GD022164
Name:
NoneFormula:
C23H27O7N3Br2Smiles:
Cc1nnc([C@H](OCC=CBr)[C@H](O)[C@H](O)[C@H](OCC=CBr)C(=O)N[C@@H]2c3ccccc3C[C@H]2O)o1Aglycone:
Cc1nnco1.NC1c2ccccc2CC1OSugarmoiety:
O=C(O)C(OCC=CBr)C(O)C(O)C(O)OCC=CBrOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 12 |
| MolWt: | 617.29 | Num_heavy_atoms: | 35 |
| TPSA: | 147.17 | NumAromaticRings: | 2 |
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 |
AD05575
Formula: C3H4ON2
Smiles:
Cc1nnco1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 0 |
| MolWt: | 84.08 | Num_heavy_atoms: | 6 |
| TPSA: | 38.92 | NumAromaticRings: | 1 |
