Glycoside
GD015189
Name:
NoneFormula:
C23H20O6N2S4Smiles:
O=c1ccn([C@@H]2O[C@H](CO)C(OC3Sc4ccccc4S3)[C@H]2OC2Sc3ccccc3S2)c(=O)[nH]1Aglycone:
O=c1cc[nH]c(=O)[nH]1.OC1Sc2ccccc2S1.OC1Sc2ccccc2S1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 3.56 | Num_rotatable_bonds: | 6 |
| MolWt: | 548.69 | Num_heavy_atoms: | 35 |
| TPSA: | 102.78 | NumAromaticRings: | 3 |
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 |
AD00865
Formula: C7H6OS2
Smiles:
OC1Sc2ccccc2S1| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 0 |
| MolWt: | 170.26 | Num_heavy_atoms: | 10 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
