Glycoside
GD028274
Name:
NoneFormula:
C27H32O5N6SSmiles:
O=C(NCCCCCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O)c1cccc(-c2cccs2)c1Aglycone:
O=C(NCCCCCCNc1ncnc2c1N=C[N]2)c1cccc(-c2cccs2)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 2.57 | Num_rotatable_bonds: | 12 |
| MolWt: | 552.66 | Num_heavy_atoms: | 39 |
| TPSA: | 154.65 | NumAromaticRings: | 4 |
Unique Aglycone
AD18494
Formula: C22H23ON6S
Smiles:
O=C(NCCCCCCNc1ncnc2c1N=C[N]2)c1cccc(-c2cccs2)c1| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 4.52 | Num_rotatable_bonds: | 10 |
| MolWt: | 419.53 | Num_heavy_atoms: | 30 |
| TPSA: | 93.37 | NumAromaticRings: | 3 |
