Glycoside
GD003267
Name:
NoneFormula:
C19H18O5N3Cl2BrSmiles:
O=C(OC[C@@H]1OC(n2c(Br)nc3cc(Cl)c(Cl)cc32)[C@H](O)[C@H]1O)[C@@H]1CCCN1Aglycone:
COC(=O)C1CCCN1.Clc1cc2c(cc1Cl)N=C(Br)[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.53 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 4 |
| MolWt: | 495.16 | Num_heavy_atoms: | 28 |
| TPSA: | 105.84 | NumAromaticRings: | 2 |
Unique Aglycone
AD01427
Formula: C9H2N2Cl2Br
Smiles:
Clc1cc2c(cc1Cl)N=C(Br)[N]2| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 3.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 264.92 | Num_heavy_atoms: | 12 |
| TPSA: | 26.46 | NumAromaticRings: | 1 |
AD02976
Formula: C6H11O2N
Smiles:
COC(=O)C1CCCN1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | -0.09 | Num_rotatable_bonds: | 1 |
| MolWt: | 129.16 | Num_heavy_atoms: | 9 |
| TPSA: | 38.33 | NumAromaticRings: | 0 |
