Glycoside
GD153569
Name:
5,21-dichloro-23-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]-14-hydroxy-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-nonaen-12-oneFormula:
C29H23O7N3Cl2Smiles:
COC1C(CO)OC(n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)C(O)=NC4O)C(O)C1OAglycone:
OC1=NC(O)c2c1c1c3cccc(Cl)c3[nH]c1c1[nH]c3c(Cl)cccc3c21Sugarmoiety:
COC1C(CO)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.3 |
| AlogP: | 3.67 | Num_rotatable_bonds: | 3 |
| MolWt: | 572.4 | Num_heavy_atoms: | 39 |
| TPSA: | 152.69 | 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 |
