Glycoside
GD015450
Name:
NoneFormula:
C29H31O7N3Br2Smiles:
O=C(N[C@@H]1c2ccccc2C[C@H]1O)[C@H](OCC=CBr)[C@H](O)[C@H](O)[C@H](OCC=CBr)c1nnc(Cc2ccccc2)o1Aglycone:
NC1c2ccccc2CC1O.c1ccc(Cc2nnco2)cc1Sugarmoiety:
O=C(O)C(OCC=CBr)C(O)C(O)C(O)OCC=CBrOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.34 |
| AlogP: | 3.42 | Num_rotatable_bonds: | 14 |
| MolWt: | 693.39 | Num_heavy_atoms: | 41 |
| 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 |
AD11225
Formula: C9H8ON2
Smiles:
c1ccc(Cc2nnco2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.11 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 2 |
| MolWt: | 160.18 | Num_heavy_atoms: | 12 |
| TPSA: | 38.92 | NumAromaticRings: | 2 |
