Glycoside
GD013229
Name:
NoneFormula:
C29H26O5NClSSmiles:
OC[C@@H]1O[C@H](c2ccc(Cl)c(Cc3ncc(-c4ccc(-c5ccccc5)cc4)s3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Clc1ccccc1Cc1ncc(-c2ccc(-c3ccccc3)cc2)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 4.24 | Num_rotatable_bonds: | 6 |
| MolWt: | 524.04 | Num_heavy_atoms: | 36 |
| TPSA: | 103.04 | NumAromaticRings: | 4 |
Unique Aglycone
AD09898
Formula: C23H16NClS
Smiles:
Clc1ccccc1Cc1ncc(-c2ccc(-c3ccccc3)cc2)s1| HBA: | 1 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.05 |
| AlogP: | 6.72 | Num_rotatable_bonds: | 4 |
| MolWt: | 361.9 | Num_heavy_atoms: | 25 |
| TPSA: | 12.89 | NumAromaticRings: | 4 |
