Glycoside
GD009555
Name:
NoneFormula:
C25H28O7N6Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(NCC)nc(C#CC(O)c4cccc(C(=O)OC)c4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.CCNc1nc(C#CC(O)c2cccc(C(=O)OC)c2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 7 |
| MolWt: | 524.53 | Num_heavy_atoms: | 38 |
| TPSA: | 180.95 | 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 |
AD07482
Formula: C18H16O3N5
Smiles:
CCNc1nc(C#CC(O)c2cccc(C(=O)OC)c2)nc2c1N=C[N]2| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 4 |
| MolWt: | 350.36 | Num_heavy_atoms: | 26 |
| TPSA: | 110.8 | NumAromaticRings: | 2 |
