Glycoside
GD004794
Name:
5,21-dichloro-13-[2-(diethylamino)ethyl]-3-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.0²,¹â°.0â´,â¹.0¹¹,¹âµ.0¹â·,²²]tricosa-1(16),2(10),4,6,8,11(15),17(22),18,20-nonaene-12,14-dioneFormula:
C35H34O7N4Cl2Smiles:
CCN(CC)CCN1C(=O)c2c(c3c4cccc(Cl)c4n(C4OC(CO)C(OC)C(O)C4O)c3c3[nH]c4c(Cl)cccc4c23)C1=OAglycone:
CCN(CC)CCN1C(=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: | 0.39 |
| AlogP: | 4.3 | Num_rotatable_bonds: | 8 |
| MolWt: | 669.56 | Num_heavy_atoms: | 46 |
| TPSA: | 140.49 | NumAromaticRings: | 5 |
Unique Aglycone
AD03619
Formula: C28H22O2N4Cl2
Smiles:
CCN(CC)CCN1C(=O)c2c(c3c4cccc(Cl)c4[nH]c3c3[nH]c4c(Cl)cccc4c23)C1=O| HBA: | 6 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.23 |
| AlogP: | 6.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 493.39 | Num_heavy_atoms: | 34 |
| TPSA: | 72.2 | NumAromaticRings: | 5 |
