Glycoside
GD012437
Name:
NoneFormula:
C36H38O5N8Smiles:
CCCCCn1cnc2cc(C(=O)NC[C@@H]3O[C@H](n4cnc5c(NCc6ccc(Oc7ccccc7)cc6)ncnc54)[C@H](O)[C@H]3O)ccc21Aglycone:
C1=Nc2c(ncnc2NCc2ccc(Oc3ccccc3)cc2)[N]1.CCCCCn1cnc2cc(C(=O)NC)ccc21Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.31 |
| AlogP: | 4.82 | Num_rotatable_bonds: | 13 |
| MolWt: | 662.75 | Num_heavy_atoms: | 49 |
| TPSA: | 161.47 | NumAromaticRings: | 6 |
Unique Aglycone
AD00191
Formula: C18H14ON5
Smiles:
C1=Nc2c(ncnc2NCc2ccc(Oc3ccccc3)cc2)[N]1| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 3.79 | Num_rotatable_bonds: | 5 |
| MolWt: | 316.34 | Num_heavy_atoms: | 24 |
| TPSA: | 73.5 | NumAromaticRings: | 3 |
AD09378
Formula: C14H19ON3
Smiles:
CCCCCn1cnc2cc(C(=O)NC)ccc21| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.43 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 5 |
| MolWt: | 245.33 | Num_heavy_atoms: | 18 |
| TPSA: | 46.92 | NumAromaticRings: | 2 |
