Glycoside
GD130577
Name:
3-({6-[({4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4H-chromen-4-oneFormula:
C34H42O20Smiles:
COc1cc(O)c2c(=O)c(OC3OC(COC4OC(C)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)c(-c3ccc(O)c(O)c3)oc2c1Aglycone:
COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1Sugarmoiety:
CC1OC(OC2C(OCC3OC(O)C(O)C(O)C3O)OC(C)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.56 |
| AlogP: | -2.53 | Num_rotatable_bonds: | 9 |
| MolWt: | 770.69 | Num_heavy_atoms: | 54 |
| TPSA: | 317.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD01092
Formula: C16H12O7
Smiles:
COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 316.27 | Num_heavy_atoms: | 23 |
| TPSA: | 120.36 | NumAromaticRings: | 3 |
