Glycoside
GD062552
Name:
NoneFormula:
C13H19O7N3SSmiles:
CO[C@@H]1O[C@H](Nc2nc(SC)[nH]c(=O)c2C(C)=O)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
CSc1nc(N)c(C(C)=O)c(=O)[nH]1Sugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -1.48 | Num_rotatable_bonds: | 5 |
| MolWt: | 361.38 | Num_heavy_atoms: | 24 |
| TPSA: | 154.0 | NumAromaticRings: | 1 |
Unique Aglycone
AD30341
Formula: C7H9O2N3S
Smiles:
CSc1nc(N)c(C(C)=O)c(=O)[nH]1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 199.24 | Num_heavy_atoms: | 13 |
| TPSA: | 88.84 | NumAromaticRings: | 1 |
