Glycoside
GD033107
Name:
NoneFormula:
C22H28O8N10Smiles:
OC[C@@H]1OC(n2cnc3c(NCCNc4ncnc5c4ncn5C4O[C@H](CO)[C@H](O)[C@H]4O)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NCCNc2ncnc3c2N=C[N]3)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.55 |
| AlogP: | -3.29 | Num_rotatable_bonds: | 9 |
| MolWt: | 560.53 | Num_heavy_atoms: | 40 |
| TPSA: | 251.1 | NumAromaticRings: | 4 |
Unique Aglycone
AD21157
Formula: C12H10N10
Smiles:
C1=Nc2c(ncnc2NCCNc2ncnc3c2N=C[N]3)[N]1| HBA: | 10 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 294.28 | Num_heavy_atoms: | 22 |
| TPSA: | 128.54 | NumAromaticRings: | 2 |
