Glycoside
GD028701
Name:
NoneFormula:
C18H22O10N4S2Smiles:
O=c1nc(SSc2ccn(C3O[C@H](CO)[C@H](O)[C@H]3O)c(=O)n2)ccn1C1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
O=c1nc(SSc2cc[nH]c(=O)n2)cc[nH]1Sugarmoiety:
OCC1OC(O)C(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -3.18 | Num_rotatable_bonds: | 7 |
| MolWt: | 518.53 | Num_heavy_atoms: | 34 |
| TPSA: | 209.62 | NumAromaticRings: | 2 |
Unique Aglycone
AD18724
Formula: C8H6O2N4S2
Smiles:
O=c1nc(SSc2cc[nH]c(=O)n2)cc[nH]1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 3 |
| MolWt: | 254.3 | Num_heavy_atoms: | 16 |
| TPSA: | 91.5 | NumAromaticRings: | 2 |
