Glycoside
GD003422
Name:
NoneFormula:
C24H33O5N7Smiles:
CC(C)N(CCCNC(=O)OCc1ccccc1)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CC(C)N(C)CCCNC(=O)OCc1ccccc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 10 |
| MolWt: | 499.57 | Num_heavy_atoms: | 36 |
| TPSA: | 160.88 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD03114
Formula: C15H24O2N2
Smiles:
CC(C)N(C)CCCNC(=O)OCc1ccccc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.53 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 7 |
| MolWt: | 264.37 | Num_heavy_atoms: | 19 |
| TPSA: | 41.57 | NumAromaticRings: | 1 |
