Glycoside
GD132243
Name:
7-({3-[(5-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C32H40O20Smiles:
COc1cc(C2CC(=O)c3c(O)cc(OC4OC(CO)C(O)C(O)C4OC4OC(OC5OCC(O)(CO)C5O)C(O)(CO)C4O)cc3O2)ccc1OAglycone:
COc1cc(C2CC(=O)c3c(O)cc(O)cc3O2)ccc1OSugarmoiety:
OCC1OC(O)C(OC2OC(OC3OCC(O)(CO)C3O)C(O)(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.59 |
| AlogP: | -3.76 | Num_rotatable_bonds: | 11 |
| MolWt: | 744.65 | Num_heavy_atoms: | 52 |
| TPSA: | 313.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD04775
Formula: C16H14O6
Smiles:
COc1cc(C2CC(=O)c3c(O)cc(O)cc3O2)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 2 |
| MolWt: | 302.28 | Num_heavy_atoms: | 22 |
| TPSA: | 96.22 | NumAromaticRings: | 2 |
