Glycoside
GD108321
Name:
NoneFormula:
C21H23O12ISmiles:
COC(=O)[C@@H]1O[C@H](Oc2cc(I)cc(OC(C)=O)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
CC(=O)Oc1cc(O)cc(I)c1Sugarmoiety:
COC(=O)C1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.48 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 7 |
| MolWt: | 594.31 | Num_heavy_atoms: | 34 |
| TPSA: | 149.96 | NumAromaticRings: | 1 |
Unique Aglycone
AD44430
Formula: C8H7O3I
Smiles:
CC(=O)Oc1cc(O)cc(I)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 1 |
| MolWt: | 278.04 | Num_heavy_atoms: | 12 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
