Glycoside
GD019256
Name:
NoneFormula:
C21H17O6N4ClSSmiles:
O=c1oc2ccc(Cl)cc2cc1CSc1nc2cncnc2n1[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
O=c1oc2ccc(Cl)cc2cc1CSC1=Nc2cncnc2[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 5 |
| MolWt: | 476.9 | Num_heavy_atoms: | 32 |
| TPSA: | 143.73 | NumAromaticRings: | 4 |
Unique Aglycone
AD13464
Formula: C16H8O2N4ClS
Smiles:
O=c1oc2ccc(Cl)cc2cc1CSC1=Nc2cncnc2[N]1| HBA: | 6 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.07 |
| AlogP: | 3.41 | Num_rotatable_bonds: | 2 |
| MolWt: | 343.78 | Num_heavy_atoms: | 23 |
| TPSA: | 82.45 | NumAromaticRings: | 3 |
