Glycoside
GD032289
Name:
NoneFormula:
C21H33O5N7Smiles:
CCCCCCCCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NCC)[C@H](O)[C@H]1OAglycone:
CCCCCCCCNC(=O)Nc1ncnc2c1N=C[N]2.CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 11 |
| MolWt: | 463.54 | Num_heavy_atoms: | 33 |
| TPSA: | 163.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD20718
Formula: C14H21ON6
Smiles:
CCCCCCCCNC(=O)Nc1ncnc2c1N=C[N]2| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.57 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 8 |
| MolWt: | 289.36 | Num_heavy_atoms: | 21 |
| TPSA: | 93.37 | NumAromaticRings: | 1 |
