Glycoside
GD113732
Name:
NoneFormula:
C34H23O9NClBrSmiles:
O=C(O[C@H]1CO[C@H](n2c(=O)oc3cc(Br)c(Cl)cc32)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1Aglycone:
O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=c1[nH]c2cc(Cl)c(Br)cc2o1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 0 | FractionCSP3: | 0.15 |
| AlogP: | 6.22 | Num_rotatable_bonds: | 7 |
| MolWt: | 692.9 | Num_heavy_atoms: | 45 |
| TPSA: | 123.27 | NumAromaticRings: | 5 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD44826
Formula: C8H3O2NClBr
Smiles:
O=c1[nH]c2cc(Cl)c(Br)cc2o1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 0 |
| MolWt: | 248.46 | Num_heavy_atoms: | 12 |
| TPSA: | 46.0 | NumAromaticRings: | 2 |
