Glycoside
GD012953
Name:
NoneFormula:
C17H27O3N7Smiles:
CCc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CN(C)CC=CCN)[C@H](O)[C@H]1OAglycone:
CCC1=Nc2c(N)ncnc2[N]1.CN(C)CC=CCNSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.59 |
| AlogP: | -0.96 | Num_rotatable_bonds: | 7 |
| MolWt: | 377.45 | Num_heavy_atoms: | 27 |
| TPSA: | 148.57 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
AD06224
Formula: C7H8N5
Smiles:
CCC1=Nc2c(N)ncnc2[N]1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 1 |
| MolWt: | 162.18 | Num_heavy_atoms: | 12 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
