Glycoside
GD021685
Name:
NoneFormula:
C19H29O5N7Smiles:
CCOC(=O)NCC=CCN(C)C[C@@H]1O[C@H](n2c(C)nc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CC1=Nc2c(N)ncnc2[N]1.CCOC(=O)NCC=CCN(C)CSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -0.43 | Num_rotatable_bonds: | 8 |
| MolWt: | 435.49 | Num_heavy_atoms: | 31 |
| TPSA: | 160.88 | NumAromaticRings: | 2 |
Unique Aglycone
AD00269
Formula: C6H6N5
Smiles:
CC1=Nc2c(N)ncnc2[N]1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 0 |
| MolWt: | 148.15 | Num_heavy_atoms: | 11 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD14777
Formula: C9H18O2N2
Smiles:
CCOC(=O)NCC=CCN(C)C| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 5 |
| MolWt: | 186.25 | Num_heavy_atoms: | 13 |
| TPSA: | 41.57 | NumAromaticRings: | 0 |
