Glycoside
GD000912
Name:
NoneFormula:
C17H16O5N4S2Smiles:
OC[C@@H]1O[C@H](n2cnc3c(O)ncnc32)[C@H](OC2Sc3ccccc3S2)C1OAglycone:
OC1Sc2ccccc2S1.Oc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 4 |
| MolWt: | 420.47 | Num_heavy_atoms: | 28 |
| TPSA: | 122.75 | NumAromaticRings: | 3 |
Unique Aglycone
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 |
AD00956
Formula: C5H3ON4
Smiles:
Oc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 0 |
| MolWt: | 135.11 | Num_heavy_atoms: | 10 |
| TPSA: | 72.47 | NumAromaticRings: | 1 |
