Glycoside
GD149467
Name:
6-{5-[(3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl}-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4H-chromen-4-oneFormula:
C33H40O20Smiles:
COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1C1OC(CO)C(OC2OCC(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1OAglycone:
COc1cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1Sugarmoiety:
OCC1OC(OC2COC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.55 |
| AlogP: | -3.61 | Num_rotatable_bonds: | 9 |
| MolWt: | 756.66 | Num_heavy_atoms: | 53 |
| TPSA: | 328.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD23614
Formula: C16H12O6
Smiles:
COc1cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
