Glycoside
GD123938
Name:
8-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C27H32O17Smiles:
O=C1CC(c2ccc(O)c(O)c2)Oc2c(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)c(O)cc(O)c21Aglycone:
O=C1CC(c2ccc(O)c(O)c2)Oc2c(O)c(O)cc(O)c21Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.52 |
| AlogP: | -2.78 | Num_rotatable_bonds: | 7 |
| MolWt: | 628.54 | Num_heavy_atoms: | 44 |
| TPSA: | 285.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD50045
Formula: C15H12O7
Smiles:
O=C1CC(c2ccc(O)c(O)c2)Oc2c(O)c(O)cc(O)c21| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.13 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 1 |
| MolWt: | 304.25 | Num_heavy_atoms: | 22 |
| TPSA: | 127.45 | NumAromaticRings: | 2 |
