Glycoside
GD017973
Name:
NoneFormula:
C25H35O4N9Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(N)nc(NCCCN4CCN(c5ccccc5)CC4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.Nc1nc(NCCCN2CCN(c3ccccc3)CC2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 9 |
| MolWt: | 525.61 | Num_heavy_atoms: | 38 |
| TPSA: | 166.92 | 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 |
AD12762
Formula: C18H23N8
Smiles:
Nc1nc(NCCCN2CCN(c3ccccc3)CC2)nc2c1N=C[N]2| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.39 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 6 |
| MolWt: | 351.44 | Num_heavy_atoms: | 26 |
| TPSA: | 96.77 | NumAromaticRings: | 2 |
