Glycoside
GD128824
Name:
21-23Formula:
C25H18O4N2Cl2Smiles:
OC1COC(n2c3ccc(Cl)cc3c3ccc4c5cc(Cl)ccc5[nH]c4c32)C(O)C1OAglycone:
Clc1ccc2[nH]c3c(ccc4c5cc(Cl)ccc5[nH]c43)c2c1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.22 |
| AlogP: | 4.35 | Num_rotatable_bonds: | 1 |
| MolWt: | 457.31 | Num_heavy_atoms: | 31 |
| TPSA: | 90.64 | NumAromaticRings: | 5 |
Unique Aglycone
AD48960
Formula: C20H10N2Cl2
Smiles:
Clc1ccc2[nH]c3c(ccc4c5cc(Cl)ccc5[nH]c43)c2c1| HBA: | 2 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 6.26 | Num_rotatable_bonds: | 0 |
| MolWt: | 325.2 | Num_heavy_atoms: | 22 |
| TPSA: | 31.58 | NumAromaticRings: | 5 |
