Glycoside
GD010001
Name:
NoneFormula:
C38H48O7N6Smiles:
CC1(C)CCC[C@]2(C)c3ccc(OCCCCCC(=O)NCc4cn([C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)nn4)cc3-c3nc4ccccc4nc3[C@H]12Aglycone:
CC1(C)CCCC2(C)c3ccc(OCCCCCC(=O)NCC4=C[N]N=N4)cc3-c3nc4ccccc4nc3C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | 3.68 | Num_rotatable_bonds: | 11 |
| MolWt: | 700.84 | Num_heavy_atoms: | 51 |
| TPSA: | 184.97 | NumAromaticRings: | 4 |
Unique Aglycone
AD07780
Formula: C32H37O2N6
Smiles:
CC1(C)CCCC2(C)c3ccc(OCCCCCC(=O)NCC4=C[N]N=N4)cc3-c3nc4ccccc4nc3C12| HBA: | 8 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.47 |
| AlogP: | 6.74 | Num_rotatable_bonds: | 9 |
| MolWt: | 537.69 | Num_heavy_atoms: | 40 |
| TPSA: | 102.93 | NumAromaticRings: | 3 |
