Glycoside
GD022889
Name:
NoneFormula:
C31H36O6N7Smiles:
CC1(C)c2ccc(C(=O)NCCc3ccc(Nc4ncnc5c4ncn5[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)cc3)cc2C(C)(C)N1[O]Aglycone:
CC1(C)c2ccc(C(=O)NCCc3ccc(Nc4ncnc5c4N=C[N]5)cc3)cc2C(C)(C)N1OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 8 |
| MolWt: | 602.67 | Num_heavy_atoms: | 44 |
| TPSA: | 177.79 | NumAromaticRings: | 4 |
Unique Aglycone
AD07346
Formula: C26H28O2N7
Smiles:
CC1(C)c2ccc(C(=O)NCCc3ccc(Nc4ncnc5c4N=C[N]5)cc3)cc2C(C)(C)N1O| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.31 |
| AlogP: | 4.28 | Num_rotatable_bonds: | 6 |
| MolWt: | 470.56 | Num_heavy_atoms: | 35 |
| TPSA: | 116.84 | NumAromaticRings: | 3 |
