Glycoside
GD011818
Name:
NoneFormula:
C20H21O5N3SSmiles:
OC[C@@H]1O[C@H](c2cccc(Cc3nnc(-c4cccnc4)s3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
c1ccc(Cc2nnc(-c3cccnc3)s2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 5 |
| MolWt: | 415.47 | Num_heavy_atoms: | 29 |
| TPSA: | 128.82 | NumAromaticRings: | 3 |
Unique Aglycone
AD08978
Formula: C14H11N3S
Smiles:
c1ccc(Cc2nnc(-c3cccnc3)s2)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.07 |
| AlogP: | 3.19 | Num_rotatable_bonds: | 3 |
| MolWt: | 253.33 | Num_heavy_atoms: | 18 |
| TPSA: | 38.67 | NumAromaticRings: | 3 |
