Glycoside
GD017788
Name:
NoneFormula:
C24H21O6N2ClSSmiles:
OC[C@@H]1O[C@H](c2ccc(Cl)c(Cc3nnc(-c4cc5ccccc5o4)s3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Clc1ccccc1Cc1nnc(-c2cc3ccccc3o2)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 5 |
| MolWt: | 488.95 | Num_heavy_atoms: | 33 |
| TPSA: | 129.07 | NumAromaticRings: | 4 |
Unique Aglycone
AD12654
Formula: C18H11ON2ClS
Smiles:
Clc1ccccc1Cc1nnc(-c2cc3ccccc3o2)s1| HBA: | 3 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.06 |
| AlogP: | 5.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 326.81 | Num_heavy_atoms: | 22 |
| TPSA: | 38.92 | NumAromaticRings: | 4 |
