Glycoside
GD078922
Name:
NoneFormula:
C20H21O4N3SSmiles:
Cc1ccc(-c2nn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c(=S)n2-c2ccccc2)cc1Aglycone:
Cc1ccc(-c2n[nH]c(=S)n2-c2ccccc2)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 4 |
| MolWt: | 399.47 | Num_heavy_atoms: | 28 |
| TPSA: | 92.67 | NumAromaticRings: | 3 |
Unique Aglycone
AD36248
Formula: C15H13N3S
Smiles:
Cc1ccc(-c2n[nH]c(=S)n2-c2ccccc2)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.07 |
| AlogP: | 3.91 | Num_rotatable_bonds: | 2 |
| MolWt: | 267.36 | Num_heavy_atoms: | 19 |
| TPSA: | 33.61 | NumAromaticRings: | 3 |
