Glycoside
GD017575
Name:
NoneFormula:
C28H31O8N3Br2Smiles:
O=C(NNC(=O)[C@H](OCC=CBr)[C@H](O)[C@H](O)[C@H](OCC=CBr)C(=O)N[C@@H]1c2ccccc2C[C@H]1O)c1ccccc1Aglycone:
NC1c2ccccc2CC1O.NNC(=O)c1ccccc1Sugarmoiety:
O=C(O)C(OCC=CBr)C(O)C(O)C(OCC=CBr)C(=O)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.32 |
| AlogP: | 1.53 | Num_rotatable_bonds: | 13 |
| MolWt: | 697.38 | Num_heavy_atoms: | 41 |
| TPSA: | 166.45 | 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 |
AD12528
Formula: C7H8ON2
Smiles:
NNC(=O)c1ccccc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.29 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 55.12 | NumAromaticRings: | 1 |
