Glycoside
GD002181
Name:
NoneFormula:
C31H33O10N3SSmiles:
CCOc1nn(Cc2ccc(OCc3csc(-c4ccccc4)n3)cc2)cc1CCC(=O)O[C@@H]1[C@H](O)O[C@H](C(=O)O)[C@H](O)[C@H]1OAglycone:
CCOc1nn(Cc2ccc(OCc3csc(-c4ccccc4)n3)cc2)cc1CCC(=O)OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 2.4 | Num_rotatable_bonds: | 13 |
| MolWt: | 639.68 | Num_heavy_atoms: | 45 |
| TPSA: | 182.69 | NumAromaticRings: | 4 |
Unique Aglycone
AD02112
Formula: C25H25O4N3S
Smiles:
CCOc1nn(Cc2ccc(OCc3csc(-c4ccccc4)n3)cc2)cc1CCC(=O)O| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.24 |
| AlogP: | 5.05 | Num_rotatable_bonds: | 11 |
| MolWt: | 463.56 | Num_heavy_atoms: | 33 |
| TPSA: | 86.47 | NumAromaticRings: | 4 |
