Glycoside
GD022861
Name:
NoneFormula:
C34H36O6N6SSmiles:
O=C(NCCCCCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O)c1cccc(-c2cc(C(=O)c3ccccc3)cs2)c1Aglycone:
O=C(NCCCCCCNc1ncnc2c1N=C[N]2)c1cccc(-c2cc(C(=O)c3ccccc3)cs2)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 3.8 | Num_rotatable_bonds: | 14 |
| MolWt: | 656.77 | Num_heavy_atoms: | 47 |
| TPSA: | 171.72 | NumAromaticRings: | 5 |
Unique Aglycone
AD15446
Formula: C29H27O2N6S
Smiles:
O=C(NCCCCCCNc1ncnc2c1N=C[N]2)c1cccc(-c2cc(C(=O)c3ccccc3)cs2)c1| HBA: | 8 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.21 |
| AlogP: | 5.75 | Num_rotatable_bonds: | 12 |
| MolWt: | 523.64 | Num_heavy_atoms: | 38 |
| TPSA: | 110.44 | NumAromaticRings: | 4 |
