Glycoside
GD115582
Name:
2-{5',6'-dimethoxy-2',3'-dihydrospiro[cyclohexane-1,1'-indene]-5,7'-dioloxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C22H32O10Smiles:
COc1cc2c(c(O)c1OC)C1(CC2)CCC(OC2OC(CO)C(O)C(O)C2O)C(O)C1Aglycone:
COc1cc2c(c(O)c1OC)C1(CC2)CCC(O)C(O)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.73 |
| AlogP: | -0.68 | Num_rotatable_bonds: | 5 |
| MolWt: | 456.49 | Num_heavy_atoms: | 32 |
| TPSA: | 158.3 | NumAromaticRings: | 1 |
Unique Aglycone
AD45751
Formula: C16H22O5
Smiles:
COc1cc2c(c(O)c1OC)C1(CC2)CCC(O)C(O)C1| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.62 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 2 |
| MolWt: | 294.35 | Num_heavy_atoms: | 21 |
| TPSA: | 79.15 | NumAromaticRings: | 1 |
