Glycoside
GD024918
Name:
NoneFormula:
C25H25O10N3SSmiles:
Cn1c(COc2ccc(CC3SC(=O)N([C@@H]4O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]4O)C3=O)cc2)nc2ccc(O)cc21Aglycone:
Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccc(O)cc21Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 7 |
| MolWt: | 559.55 | Num_heavy_atoms: | 39 |
| TPSA: | 191.88 | NumAromaticRings: | 3 |
Unique Aglycone
AD10914
Formula: C19H17O4N3S
Smiles:
Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccc(O)cc21| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.21 |
| AlogP: | 2.75 | Num_rotatable_bonds: | 5 |
| MolWt: | 383.43 | Num_heavy_atoms: | 27 |
| TPSA: | 93.45 | NumAromaticRings: | 3 |
