Glycoside
GD038102
Name:
n-[(e)-3-[(2r,3s,4r,5s)-3,4-dihydroxy-5-pyridin-4-ylsulfanyl-oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamideFormula:
C19H19O8N3SSmiles:
O=C(NCC=C[C@H]1O[C@H](Sc2ccncc2)[C@@H](O)[C@H]1O)c1cc([N+](=O)[O-])cc(O)c1OAglycone:
C=CCNC(=O)c1cc([N+](=O)[O-])cc(O)c1O.Sc1ccncc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.26 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 7 |
| MolWt: | 449.44 | Num_heavy_atoms: | 31 |
| TPSA: | 175.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD23855
Formula: C10H10O5N2
Smiles:
C=CCNC(=O)c1cc([N+](=O)[O-])cc(O)c1O| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.1 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 4 |
| MolWt: | 238.2 | Num_heavy_atoms: | 17 |
| TPSA: | 112.7 | NumAromaticRings: | 1 |
AD23856
Formula: C5H5NS
Smiles:
Sc1ccncc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.17 | Num_heavy_atoms: | 7 |
| TPSA: | 12.89 | NumAromaticRings: | 1 |
