Glycoside
GD009036
Name:
NoneFormula:
C23H22O6N2SSmiles:
OC[C@@H]1O[C@H](c2cc(Cc3nnc(-c4ccco4)s3)c3ccccc3c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
c1coc(-c2nnc(Cc3cccc4ccccc34)s2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 5 |
| MolWt: | 454.5 | Num_heavy_atoms: | 32 |
| TPSA: | 129.07 | NumAromaticRings: | 4 |
Unique Aglycone
AD07137
Formula: C17H12ON2S
Smiles:
c1coc(-c2nnc(Cc3cccc4ccccc34)s2)c1| HBA: | 3 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.06 |
| AlogP: | 4.54 | Num_rotatable_bonds: | 3 |
| MolWt: | 292.36 | Num_heavy_atoms: | 21 |
| TPSA: | 38.92 | NumAromaticRings: | 4 |
