Glycoside
GD004327
Name:
NoneFormula:
C25H25O7N4ClSSmiles:
OC[C@@H]1O[C@H](c2cc(Cc3ncc(-c4ccco4)s3)c(Cl)cc2OCCn2cncn2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Clc1cc(OCCn2cncn2)ccc1Cc1ncc(-c2ccco2)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 9 |
| MolWt: | 549.01 | Num_heavy_atoms: | 37 |
| TPSA: | 156.12 | NumAromaticRings: | 4 |
Unique Aglycone
AD03796
Formula: C19H15O2N4ClS
Smiles:
Clc1cc(OCCn2cncn2)ccc1Cc1ncc(-c2ccco2)s1| HBA: | 6 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.17 |
| AlogP: | 4.32 | Num_rotatable_bonds: | 7 |
| MolWt: | 386.86 | Num_heavy_atoms: | 26 |
| TPSA: | 65.97 | NumAromaticRings: | 4 |
