Glycoside
GD033670
Name:
NoneFormula:
C27H38O9N12Smiles:
COC(=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:
COC(=O)C(N)CCN(C)CCO.Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OOC(O)C1O.OCOC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.59 |
| AlogP: | -3.72 | Num_rotatable_bonds: | 13 |
| MolWt: | 674.68 | Num_heavy_atoms: | 48 |
| TPSA: | 303.41 | 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 |
AD21473
Formula: C8H18O3N2
Smiles:
COC(=O)C(N)CCN(C)CCO| HBA: | 5 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | -1.2 | Num_rotatable_bonds: | 6 |
| MolWt: | 190.24 | Num_heavy_atoms: | 13 |
| TPSA: | 75.79 | NumAromaticRings: | 0 |
