Glycoside
GD013950
Name:
NoneFormula:
C37H41O8N6ClSmiles:
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)C=CCN(C)NC[C@H](O)[C@H](O)[C@H](O)[C@H](O)COAglycone:
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)C=CCN(C)NCSugarmoiety:
OCC(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.31 |
| AlogP: | 2.85 | Num_rotatable_bonds: | 18 |
| MolWt: | 721.21 | Num_heavy_atoms: | 51 |
| TPSA: | 212.69 | NumAromaticRings: | 4 |
Unique Aglycone
AD10339
Formula: C32H31O3N6Cl
Smiles:
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)C=CCN(C)NC| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 6.04 | Num_rotatable_bonds: | 12 |
| MolWt: | 571.08 | Num_heavy_atoms: | 41 |
| TPSA: | 111.54 | NumAromaticRings: | 4 |
