Glycoside
GD031208
Name:
NoneFormula:
C29H36O5N8Smiles:
OC1O[C@H](Cn2cc(CN(CCN(Cc3ccccn3)Cc3ccccn3)Cc3ccccn3)nn2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Cn1cc(CN(CCN(Cc2ccccn2)Cc2ccccn2)Cc2ccccn2)nn1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 13 |
| MolWt: | 576.66 | Num_heavy_atoms: | 42 |
| TPSA: | 166.01 | NumAromaticRings: | 4 |
Unique Aglycone
AD20117
Formula: C24H28N8
Smiles:
Cn1cc(CN(CCN(Cc2ccccn2)Cc2ccccn2)Cc2ccccn2)nn1| HBA: | 8 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.29 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 11 |
| MolWt: | 428.54 | Num_heavy_atoms: | 32 |
| TPSA: | 75.86 | NumAromaticRings: | 4 |
