Glycoside
GD007255
Name:
NoneFormula:
C30H29O4N4ClSmiles:
Cc1nc2ccccc2n1-c1ccc(CNC(=O)[C@H](O)[C@H](O)C(=O)N2CCCC2c2cccc(Cl)c2)cc1Aglycone:
Cc1nc2ccccc2n1-c1ccc(CN)cc1.Clc1cccc(C2CCCN2)c1Sugarmoiety:
O=C(O)C(O)C(O)C(=O)OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.28 |
| AlogP: | 3.69 | Num_rotatable_bonds: | 7 |
| MolWt: | 533.03 | Num_heavy_atoms: | 38 |
| TPSA: | 107.69 | NumAromaticRings: | 4 |
Unique Aglycone
AD04593
Formula: C11H12NCl
Smiles:
Clc1cccc(C2CCCN2)c1| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 1 |
| MolWt: | 181.67 | Num_heavy_atoms: | 12 |
| TPSA: | 12.03 | NumAromaticRings: | 1 |
AD05918
Formula: C15H15N3
Smiles:
Cc1nc2ccccc2n1-c1ccc(CN)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.13 |
| AlogP: | 2.79 | Num_rotatable_bonds: | 2 |
| MolWt: | 237.31 | Num_heavy_atoms: | 18 |
| TPSA: | 43.84 | NumAromaticRings: | 3 |
