Glycoside
GD019477
Name:
NoneFormula:
C38H40O10N10Smiles:
NCCOc1cc(NC(=O)c2cc(OCc3cn([C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)nn3)cc(C(=O)Nc3cc(OCCN)c4ccccc4n3)n2)nc2ccccc12Aglycone:
NCCOc1cc(NC(=O)c2cc(OCC3=C[N]N=N3)cc(C(=O)Nc3cc(OCCN)c4ccccc4n3)n2)nc2ccccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.29 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 15 |
| MolWt: | 796.8 | Num_heavy_atoms: | 58 |
| TPSA: | 297.46 | NumAromaticRings: | 6 |
Unique Aglycone
AD13593
Formula: C32H29O5N10
Smiles:
NCCOc1cc(NC(=O)c2cc(OCC3=C[N]N=N3)cc(C(=O)Nc3cc(OCCN)c4ccccc4n3)n2)nc2ccccc12| HBA: | 15 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.16 |
| AlogP: | 3.56 | Num_rotatable_bonds: | 13 |
| MolWt: | 633.65 | Num_heavy_atoms: | 47 |
| TPSA: | 215.42 | NumAromaticRings: | 5 |
