Glycoside
GD027633
Name:
NoneFormula:
C29H41O4N9Smiles:
CC(C)N(CCCNC(=O)Nc1nc2ccc(C(C)(C)C)cc2[nH]1)CC1O[C@H](n2ccc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CC(C)N(C)CCCNC(=O)Nc1nc2ccc(C(C)(C)C)cc2[nH]1.Nc1ncnc2c1C=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | 2.73 | Num_rotatable_bonds: | 9 |
| MolWt: | 579.71 | Num_heavy_atoms: | 42 |
| TPSA: | 179.47 | NumAromaticRings: | 4 |
Unique Aglycone
AD00138
Formula: C6H5N4
Smiles:
Nc1ncnc2c1C=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 0 |
| MolWt: | 133.13 | Num_heavy_atoms: | 10 |
| TPSA: | 65.9 | NumAromaticRings: | 1 |
AD18138
Formula: C19H31ON5
Smiles:
CC(C)N(C)CCCNC(=O)Nc1nc2ccc(C(C)(C)C)cc2[nH]1| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.58 |
| AlogP: | 3.71 | Num_rotatable_bonds: | 6 |
| MolWt: | 345.49 | Num_heavy_atoms: | 25 |
| TPSA: | 73.05 | NumAromaticRings: | 2 |
