Glycoside
GD108812
Name:
NoneFormula:
C30H31O8N5Smiles:
N#C[C@]1(c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc2)CC[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C1Aglycone:
N#CC1(c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc2)CCC(O)C1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.37 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 9 |
| MolWt: | 589.61 | Num_heavy_atoms: | 43 |
| TPSA: | 207.15 | NumAromaticRings: | 3 |
Unique Aglycone
AD44492
Formula: C24H23O2N5
Smiles:
N#CC1(c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc2)CCC(O)C1| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 3.65 | Num_rotatable_bonds: | 6 |
| MolWt: | 413.48 | Num_heavy_atoms: | 31 |
| TPSA: | 110.93 | NumAromaticRings: | 3 |
