Glycoside
GD004208
Name:
NoneFormula:
C28H28O7N7ClSmiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(Nc4ccc(OCC(=O)Nc5ccc(OC)cc5)cc4)nc(Cl)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.COc1ccc(NC(=O)COc2ccc(Nc3nc(Cl)nc4c3N=C[N]4)cc2)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 10 |
| MolWt: | 598.02 | Num_heavy_atoms: | 42 |
| TPSA: | 181.98 | NumAromaticRings: | 4 |
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 |
AD03707
Formula: C21H16O3N6Cl
Smiles:
COc1ccc(NC(=O)COc2ccc(Nc3nc(Cl)nc4c3N=C[N]4)cc2)cc1| HBA: | 9 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 3.81 | Num_rotatable_bonds: | 7 |
| MolWt: | 423.84 | Num_heavy_atoms: | 30 |
| TPSA: | 111.83 | NumAromaticRings: | 3 |
