Glycoside
GD129185
Name:
7-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)-3-methyloxolan-2-yl]oxy}methyl)-3,4,5-trihydroxy-3-methyloxan-2-yl]oxy}-6-hydroxy-2H-chromen-2-oneFormula:
C22H28O13Smiles:
CC1(O)C(Oc2cc3oc(=O)ccc3cc2O)OC(COC2OCC(O)(CO)C2(C)O)C(O)C1OAglycone:
O=c1ccc2cc(O)c(O)cc2o1Sugarmoiety:
CC1(O)C(O)OC(COC2OCC(O)(CO)C2(C)O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.59 |
| AlogP: | -2.08 | Num_rotatable_bonds: | 6 |
| MolWt: | 500.45 | Num_heavy_atoms: | 35 |
| TPSA: | 208.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD03223
Formula: C9H6O4
Smiles:
O=c1ccc2cc(O)c(O)cc2o1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 0 |
| MolWt: | 178.14 | Num_heavy_atoms: | 13 |
| TPSA: | 70.67 | NumAromaticRings: | 2 |
