Glycoside
GD077402
Name:
NoneFormula:
C15H17O5N3S2Smiles:
O=c1[nH]c(=S)c(SCc2ccccc2)nn1[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1OAglycone:
O=c1[nH]nc(SCc2ccccc2)c(=S)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 383.45 | Num_heavy_atoms: | 25 |
| TPSA: | 120.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD35290
Formula: C10H9ON3S2
Smiles:
O=c1[nH]nc(SCc2ccccc2)c(=S)[nH]1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 2.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 251.34 | Num_heavy_atoms: | 16 |
| TPSA: | 61.54 | NumAromaticRings: | 2 |
