Glycoside
GD024500
Name:
NoneFormula:
C35H36O6N8Smiles:
CCCCn1c(=O)[nH]c2cc(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.CCCCn1c(=O)[nH]c2cc(C(=O)NC)ccc21Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 3.72 | Num_rotatable_bonds: | 12 |
| MolWt: | 664.72 | Num_heavy_atoms: | 49 |
| TPSA: | 181.44 | 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 |
AD16342
Formula: C13H17O2N3
Smiles:
CCCCn1c(=O)[nH]c2cc(C(=O)NC)ccc21| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 4 |
| MolWt: | 247.3 | Num_heavy_atoms: | 18 |
| TPSA: | 66.89 | NumAromaticRings: | 2 |
