Glycoside
GD021920
Name:
NoneFormula:
C15H21O7N3S2Smiles:
CC(=O)c1sc2c(c1C)C(=O)N(N)C(S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)N2Aglycone:
CC(=O)c1sc2c(c1C)C(=O)N(N)C(S)N2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.6 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 4 |
| MolWt: | 419.48 | Num_heavy_atoms: | 27 |
| TPSA: | 165.58 | NumAromaticRings: | 1 |
Unique Aglycone
AD14917
Formula: C9H11O2N3S2
Smiles:
CC(=O)c1sc2c(c1C)C(=O)N(N)C(S)N2| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 1 |
| MolWt: | 257.34 | Num_heavy_atoms: | 16 |
| TPSA: | 75.43 | NumAromaticRings: | 1 |
