Glycoside
GD029011
Name:
NoneFormula:
C20H29O4N7Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(N4[C@H]5CCC[C@@H]4C[C@@H](N)C5)ncnc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.NC1CC2CCCC(C1)N2c1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.7 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 4 |
| MolWt: | 431.5 | Num_heavy_atoms: | 31 |
| TPSA: | 151.65 | 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 |
AD18908
Formula: C13H17N6
Smiles:
NC1CC2CCCC(C1)N2c1ncnc2c1N=C[N]2| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 1 |
| MolWt: | 257.32 | Num_heavy_atoms: | 19 |
| TPSA: | 81.5 | NumAromaticRings: | 1 |
