Glycoside
GD033101
Name:
NoneFormula:
C25H27O11N3SSmiles:
Cn1c(COc2ccc(CC(SC(=O)N[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]3O)C(=O)O)cc2)nc2ccc(O)cc21Aglycone:
Cn1c(COc2ccc(CC(SC(N)=O)C(=O)O)cc2)nc2ccc(O)cc21Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.36 |
| AlogP: | 0.19 | Num_rotatable_bonds: | 9 |
| MolWt: | 577.57 | Num_heavy_atoms: | 40 |
| TPSA: | 220.9 | NumAromaticRings: | 3 |
Unique Aglycone
AD21151
Formula: C19H19O5N3S
Smiles:
Cn1c(COc2ccc(CC(SC(N)=O)C(=O)O)cc2)nc2ccc(O)cc21| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.21 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 7 |
| MolWt: | 401.44 | Num_heavy_atoms: | 28 |
| TPSA: | 127.67 | NumAromaticRings: | 3 |
