Glycoside
GD018050
Name:
NoneFormula:
C29H22O7N4Cl2Smiles:
COC1C(CO)OC(n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)C(=O)N(N)C4=O)C(O)C1OAglycone:
NN1C(=O)c2c(c3c4cccc(Cl)c4[nH]c3c3[nH]c4c(Cl)cccc4c23)C1=OSugarmoiety:
COC1C(CO)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.26 |
| AlogP: | 2.83 | Num_rotatable_bonds: | 3 |
| MolWt: | 585.4 | Num_heavy_atoms: | 40 |
| TPSA: | 163.27 | NumAromaticRings: | 5 |
Unique Aglycone
AD12802
Formula: C22H10O2N4Cl2
Smiles:
NN1C(=O)c2c(c3c4cccc(Cl)c4[nH]c3c3[nH]c4c(Cl)cccc4c23)C1=O| HBA: | 6 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 4.73 | Num_rotatable_bonds: | 0 |
| MolWt: | 409.23 | Num_heavy_atoms: | 28 |
| TPSA: | 94.98 | NumAromaticRings: | 5 |
