Glycoside
GD137450
Name:
NoneFormula:
C20H28O5N4Smiles:
[O+]=C(CC1OC(CN=C(O)C2CC2)C(O)C1O)N1CCN(c2ccccn2)CC1Aglycone:
CC(=[OH+])N1CCN(c2ccccn2)CC1.CN=C(O)C1CC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.65 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 404.47 | Num_heavy_atoms: | 29 |
| TPSA: | 121.55 | NumAromaticRings: | 1 |
Unique Aglycone
AD44951
Formula: C5H9ON
Smiles:
CN=C(O)C1CC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 1 |
| MolWt: | 99.13 | Num_heavy_atoms: | 7 |
| TPSA: | 32.59 | NumAromaticRings: | 0 |
AD47809
Formula: C11H16ON3
Smiles:
CC(=[OH+])N1CCN(c2ccccn2)CC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.45 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 1 |
| MolWt: | 206.27 | Num_heavy_atoms: | 15 |
| TPSA: | 40.77 | NumAromaticRings: | 1 |
