Glycoside
GD033671
Name:
NoneFormula:
C26H37O8N13Smiles:
NC(=O)[C@H](N)CCN(CCO[C@@H]1[C@H](O)[C@H](CO)O[C@H]1n1cnc2c(N)ncnc21)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CN(CCO)CCC(N)C(N)=O.Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OOC(O)C1O.OCOC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.58 |
| AlogP: | -4.41 | Num_rotatable_bonds: | 13 |
| MolWt: | 659.67 | Num_heavy_atoms: | 47 |
| TPSA: | 320.2 | NumAromaticRings: | 4 |
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 |
AD21474
Formula: C7H17O2N3
Smiles:
CN(CCO)CCC(N)C(N)=O| HBA: | 5 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | -1.89 | Num_rotatable_bonds: | 6 |
| MolWt: | 175.23 | Num_heavy_atoms: | 12 |
| TPSA: | 92.58 | NumAromaticRings: | 0 |
