Glycoside
GD153652
Name:
5,21-dichloro-14-hydroxy-23-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.0²,¹â°.0â´,â¹.0¹¹,¹âµ.0¹â·,²²]tricosa-1(16),2(10),4(9),5,7,11(15),17,19,21-nonaen-12-oneFormula:
C28H21O7N3Cl2Smiles:
OCC1OC(n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)C(O)=NC4O)C(O)C(O)C1OAglycone:
OC1=NC(O)c2c1c1c3cccc(Cl)c3[nH]c1c1[nH]c3c(Cl)cccc3c21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.27 |
| AlogP: | 3.02 | Num_rotatable_bonds: | 2 |
| MolWt: | 558.37 | Num_heavy_atoms: | 38 |
| TPSA: | 163.69 | NumAromaticRings: | 5 |
Unique Aglycone
AD61060
Formula: C22H11O2N3Cl2
Smiles:
OC1=NC(O)c2c1c1c3cccc(Cl)c3[nH]c1c1[nH]c3c(Cl)cccc3c21| HBA: | 5 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.05 |
| AlogP: | 5.57 | Num_rotatable_bonds: | 0 |
| MolWt: | 396.23 | Num_heavy_atoms: | 27 |
| TPSA: | 84.4 | NumAromaticRings: | 5 |
