Glycoside
GD026760
Name:
NoneFormula:
C20H24O11N4SSmiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)nc1)[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
O=CNc1ccc(S)nc1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -3.92 | Num_rotatable_bonds: | 6 |
| MolWt: | 528.5 | Num_heavy_atoms: | 36 |
| TPSA: | 236.69 | NumAromaticRings: | 2 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD17627
Formula: C6H6ON2S
Smiles:
O=CNc1ccc(S)nc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 2 |
| MolWt: | 154.19 | Num_heavy_atoms: | 10 |
| TPSA: | 41.99 | NumAromaticRings: | 1 |
