Glycoside
GD034129
Name:
NoneFormula:
C17H27O3N7Smiles:
CN(CC=CCN)C[C@@H]1O[C@H](n2cnc3c(N(C)C)ncnc32)[C@H](O)[C@H]1OAglycone:
CN(C)CC=CCN.CN(C)c1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.59 |
| AlogP: | -1.04 | Num_rotatable_bonds: | 7 |
| MolWt: | 377.45 | Num_heavy_atoms: | 27 |
| TPSA: | 125.79 | NumAromaticRings: | 2 |
Unique Aglycone
AD00626
Formula: C7H8N5
Smiles:
CN(C)c1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.29 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 1 |
| MolWt: | 162.18 | Num_heavy_atoms: | 12 |
| TPSA: | 55.48 | NumAromaticRings: | 1 |
AD04213
Formula: C6H14N2
Smiles:
CN(C)CC=CCN| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 3 |
| MolWt: | 114.19 | Num_heavy_atoms: | 8 |
| TPSA: | 29.26 | NumAromaticRings: | 0 |
