Glycoside
GD002093
Name:
NoneFormula:
C23H29O5N7Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(N)nc(NCCc4ccccc4C(=O)CC)nc32)[C@H](O)[C@H]1OAglycone:
CCC(=O)c1ccccc1CCNc1nc(N)c2c(n1)[N]C=N2.CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 9 |
| MolWt: | 483.53 | Num_heavy_atoms: | 35 |
| TPSA: | 177.51 | NumAromaticRings: | 3 |
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 |
AD02028
Formula: C16H17ON6
Smiles:
CCC(=O)c1ccccc1CCNc1nc(N)c2c(n1)[N]C=N2| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 6 |
| MolWt: | 309.35 | Num_heavy_atoms: | 23 |
| TPSA: | 107.36 | NumAromaticRings: | 2 |
