Glycoside
GD010482
Name:
NoneFormula:
C24H21O5N4ClS2Smiles:
OC[C@@H]1O[C@H](c2ccc(Cl)c(Cc3nnc(-c4csc(-c5ccncc5)n4)s3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Clc1ccccc1Cc1nnc(-c2csc(-c3ccncc3)n2)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 6 |
| MolWt: | 533.03 | Num_heavy_atoms: | 35 |
| TPSA: | 141.71 | NumAromaticRings: | 4 |
Unique Aglycone
AD08089
Formula: C18H11N4ClS2
Smiles:
Clc1ccccc1Cc1nnc(-c2csc(-c3ccncc3)n2)s1| HBA: | 4 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.06 |
| AlogP: | 4.97 | Num_rotatable_bonds: | 4 |
| MolWt: | 370.89 | Num_heavy_atoms: | 24 |
| TPSA: | 51.56 | NumAromaticRings: | 4 |
