Glycoside
GD032528
Name:
NoneFormula:
C33H24O8N3Cl3Smiles:
COC1C(CO)OC(n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)C(=O)N(CC(=O)CCl)C4=O)C(O)C1OAglycone:
O=C(CCl)CN1C(=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: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 3.77 | Num_rotatable_bonds: | 6 |
| MolWt: | 660.89 | Num_heavy_atoms: | 44 |
| TPSA: | 154.32 | NumAromaticRings: | 5 |
Unique Aglycone
AD20857
Formula: C26H12O3N3Cl3
Smiles:
O=C(CCl)CN1C(=O)c2c(c3c4cccc(Cl)c4[nH]c3c3[nH]c4c(Cl)cccc4c23)C1=O| HBA: | 6 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.09 |
| AlogP: | 5.67 | Num_rotatable_bonds: | 3 |
| MolWt: | 484.73 | Num_heavy_atoms: | 32 |
| TPSA: | 86.03 | NumAromaticRings: | 5 |
