Glycoside
GD102429
Name:
NoneFormula:
C20H21O6N5Cl2Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2cccc(Nc3nc(Cl)nc(Cl)n3)c2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)c1cccc(Nc2nc(Cl)nc(Cl)n2)c1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 7 |
| MolWt: | 474.3 | Num_heavy_atoms: | 31 |
| TPSA: | 158.95 | NumAromaticRings: | 2 |
Unique Aglycone
AD43355
Formula: C14H11O2N5Cl2
Smiles:
O=C(NCCO)c1cccc(Nc2nc(Cl)nc(Cl)n2)c1| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 5 |
| MolWt: | 328.16 | Num_heavy_atoms: | 21 |
| TPSA: | 100.03 | NumAromaticRings: | 2 |
