Glycoside
GD008747
Name:
NoneFormula:
C23H22O7N2SSmiles:
OC[C@@H]1O[C@H](c2cc(Cc3nnc(-c4ccco4)s3)c(O)c3ccccc23)[C@H](O)[C@H](O)[C@H]1OAglycone:
Oc1c(Cc2nnc(-c3ccco3)s2)ccc2ccccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 5 |
| MolWt: | 470.5 | Num_heavy_atoms: | 33 |
| TPSA: | 149.3 | NumAromaticRings: | 4 |
Unique Aglycone
AD06944
Formula: C17H12O2N2S
Smiles:
Oc1c(Cc2nnc(-c3ccco3)s2)ccc2ccccc12| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 4.25 | Num_rotatable_bonds: | 3 |
| MolWt: | 308.36 | Num_heavy_atoms: | 22 |
| TPSA: | 59.15 | NumAromaticRings: | 4 |
