Glycoside
GD008115
Name:
NoneFormula:
C38H26O6N4Cl4Smiles:
O=C(OC[C@H](O)[C@H](O)COC(=O)c1nn(Cc2cc(Cl)cc(Cl)c2)c2ccccc12)c1nn(Cc2cc(Cl)cc(Cl)c2)c2ccccc12Aglycone:
O=Cc1nn(Cc2cc(Cl)cc(Cl)c2)c2ccccc12.O=Cc1nn(Cc2cc(Cl)cc(Cl)c2)c2ccccc12Sugarmoiety:
OOCC(O)C(O)COOOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 6.83 | Num_rotatable_bonds: | 11 |
| MolWt: | 728.42 | Num_heavy_atoms: | 48 |
| TPSA: | 128.7 | NumAromaticRings: | 6 |
Unique Aglycone
AD06524
Formula: C17H10ON2Cl2
Smiles:
O=Cc1nn(Cc2cc(Cl)cc(Cl)c2)c2ccccc12| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.07 |
| AlogP: | 4.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 305.16 | Num_heavy_atoms: | 20 |
| TPSA: | 34.89 | NumAromaticRings: | 3 |
