Glycoside
GD009976
Name:
NoneFormula:
C26H23O6N2ClSSmiles:
OC[C@@H]1O[C@H](c2ccc(Cl)c(Cc3nnc(-c4ccc(-c5ccccc5)o4)s3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Clc1ccccc1Cc1nnc(-c2ccc(-c3ccccc3)o2)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.28 |
| AlogP: | 3.22 | Num_rotatable_bonds: | 6 |
| MolWt: | 514.99 | Num_heavy_atoms: | 35 |
| TPSA: | 129.07 | NumAromaticRings: | 4 |
Unique Aglycone
AD07762
Formula: C20H13ON2ClS
Smiles:
Clc1ccccc1Cc1nnc(-c2ccc(-c3ccccc3)o2)s1| HBA: | 3 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.05 |
| AlogP: | 5.71 | Num_rotatable_bonds: | 4 |
| MolWt: | 352.85 | Num_heavy_atoms: | 24 |
| TPSA: | 38.92 | NumAromaticRings: | 4 |
