Glycoside
GD076514
Name:
NoneFormula:
C16H21O5N7Smiles:
C=CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NCC)[C@@H](O)[C@H]1OAglycone:
C=CCNC(=O)Nc1ncnc2c1N=C[N]2.CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -1.11 | Num_rotatable_bonds: | 6 |
| MolWt: | 391.39 | Num_heavy_atoms: | 28 |
| 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 |
AD32148
Formula: C9H9ON6
Smiles:
C=CCNC(=O)Nc1ncnc2c1N=C[N]2| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 3 |
| MolWt: | 217.21 | Num_heavy_atoms: | 16 |
| TPSA: | 93.37 | NumAromaticRings: | 1 |
