Glycoside
GD026037
Name:
NoneFormula:
C31H30O10NSISmiles:
O=C(Nc1ccccc1)OCCO[C@@H]1[C@H](O)[C@H](Oc2ccc(I)cc2)O[C@H](COS(=O)(=O)c2ccc3ccccc3c2)[C@H]1OAglycone:
COS(=O)(=O)c1ccc2ccccc2c1.O=C(Nc1ccccc1)OCCO.Oc1ccc(I)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.26 |
| AlogP: | 4.31 | Num_rotatable_bonds: | 11 |
| MolWt: | 735.55 | Num_heavy_atoms: | 44 |
| TPSA: | 149.85 | NumAromaticRings: | 4 |
Unique Aglycone
AD01382
Formula: C6H5OI
Smiles:
Oc1ccc(I)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 0 |
| MolWt: | 220.01 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD04604
Formula: C11H10O3S
Smiles:
COS(=O)(=O)c1ccc2ccccc2c1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.09 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 222.27 | Num_heavy_atoms: | 15 |
| TPSA: | 43.37 | NumAromaticRings: | 2 |
AD17195
Formula: C9H11O3N
Smiles:
O=C(Nc1ccccc1)OCCO| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 3 |
| MolWt: | 181.19 | Num_heavy_atoms: | 13 |
| TPSA: | 58.56 | NumAromaticRings: | 1 |
