Glycoside
GD008519
Name:
NoneFormula:
C26H22O6N10Cl2Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(N(C(=O)Nc4ccc(Cl)cn4)C(=O)Nc4ccc(Cl)cn4)ncnc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.O=C(Nc1ccc(Cl)cn1)N(C(=O)Nc1ccc(Cl)cn1)c1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.25 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 6 |
| MolWt: | 617.41 | Num_heavy_atoms: | 42 |
| TPSA: | 209.61 | 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 |
AD06797
Formula: C19H10O2N9Cl2
Smiles:
O=C(Nc1ccc(Cl)cn1)N(C(=O)Nc1ccc(Cl)cn1)c1ncnc2c1N=C[N]2| HBA: | 11 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 3.75 | Num_rotatable_bonds: | 3 |
| MolWt: | 443.23 | Num_heavy_atoms: | 30 |
| TPSA: | 139.46 | NumAromaticRings: | 3 |
