Glycoside
GD034423
Name:
NoneFormula:
C12H15O6N3SSmiles:
O=C([C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O)N1CCSC1Aglycone:
O=CN1CCSC1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.58 |
| AlogP: | -2.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 329.33 | Num_heavy_atoms: | 22 |
| TPSA: | 124.86 | NumAromaticRings: | 1 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD05790
Formula: C4H7ONS
Smiles:
O=CN1CCSC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.75 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 1 |
| MolWt: | 117.17 | Num_heavy_atoms: | 7 |
| TPSA: | 20.31 | NumAromaticRings: | 0 |
