Glycoside
GD129972
Name:
3,5-dihydroxy-2-(4-hydroxyphenyl)-7-{[2,3,4-trihydroxy-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclohexyl]oxy}-4H-chromen-4-oneFormula:
C28H32O15Smiles:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(OC3CC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)cc(O)c12Aglycone:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(OC3CC(CO)C(O)C(O)C3O)cc(O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.46 |
| AlogP: | -1.76 | Num_rotatable_bonds: | 7 |
| MolWt: | 608.55 | Num_heavy_atoms: | 43 |
| TPSA: | 260.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD50911
Formula: C22H22O10
Smiles:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(OC3CC(CO)C(O)C(O)C3O)cc(O)c12| HBA: | 10 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.32 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 4 |
| MolWt: | 446.41 | Num_heavy_atoms: | 32 |
| TPSA: | 181.05 | NumAromaticRings: | 3 |
