Glycoside
GD017309
Name:
NoneFormula:
C29H28O4N7ClSSmiles:
O=C(NC1CC1)[C@@H]1OC(n2cnc3c(NCCc4cn(Cc5ccc(Cl)s5)c5ccccc45)ncnc32)[C@H](O)[C@H]1OAglycone:
Clc1ccc(Cn2cc(CCNc3ncnc4c3N=C[N]4)c3ccccc32)s1.O=CNC1CC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | 3.1 | Num_rotatable_bonds: | 9 |
| MolWt: | 594.1 | Num_heavy_atoms: | 41 |
| TPSA: | 139.35 | NumAromaticRings: | 5 |
Unique Aglycone
AD00527
Formula: C4H7ON
Smiles:
O=CNC1CC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 85.11 | Num_heavy_atoms: | 6 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD12364
Formula: C21H16N6ClS
Smiles:
Clc1ccc(Cn2cc(CCNc3ncnc4c3N=C[N]4)c3ccccc32)s1| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 4.76 | Num_rotatable_bonds: | 6 |
| MolWt: | 407.91 | Num_heavy_atoms: | 28 |
| TPSA: | 69.2 | NumAromaticRings: | 4 |
