Glycoside
GD151113
Name:
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-{[3,4,5-trihydroxy-6-({[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}methyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C27H32O16Smiles:
O=C1CC(c2ccc(O)cc2)Oc2cc(O)c(OC3OC(COC4C(O)OC(CO)C(O)C4O)C(O)C(O)C3O)c(O)c21Aglycone:
O=C1CC(c2ccc(O)cc2)Oc2cc(O)c(O)c(O)c21Sugarmoiety:
OCC1OC(O)C(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.52 |
| AlogP: | -2.49 | Num_rotatable_bonds: | 7 |
| MolWt: | 612.54 | Num_heavy_atoms: | 43 |
| TPSA: | 265.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD47125
Formula: C15H12O6
Smiles:
O=C1CC(c2ccc(O)cc2)Oc2cc(O)c(O)c(O)c21| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 288.26 | Num_heavy_atoms: | 21 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
