Glycoside
GD010736
Name:
NoneFormula:
C21H21O4N4ClSSmiles:
CC[C@@H]1O[C@H](c2ccc(Cl)c(Cc3cnc(-c4nncs4)nc3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Clc1ccccc1Cc1cnc(-c2nncs2)nc1Sugarmoiety:
CCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 5 |
| MolWt: | 448.93 | Num_heavy_atoms: | 30 |
| TPSA: | 121.48 | NumAromaticRings: | 3 |
Unique Aglycone
AD08247
Formula: C14H9N4ClS
Smiles:
Clc1ccccc1Cc1cnc(-c2nncs2)nc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 3.24 | Num_rotatable_bonds: | 3 |
| MolWt: | 288.76 | Num_heavy_atoms: | 19 |
| TPSA: | 51.56 | NumAromaticRings: | 3 |
