Glycoside
GD134745
Name:
2-(2-{[6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-4-hydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-oneFormula:
C33H40O20Smiles:
CC1OC(OC2C(CO)OC(OCC3OC(Oc4cc(O)ccc4-c4cc(=O)c5c(O)cc(O)cc5o4)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OAglycone:
O=c1cc(-c2ccc(O)cc2O)oc2cc(O)cc(O)c12Sugarmoiety:
CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.55 |
| AlogP: | -3.57 | Num_rotatable_bonds: | 9 |
| MolWt: | 756.66 | Num_heavy_atoms: | 53 |
| TPSA: | 328.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD47973
Formula: C15H10O6
Smiles:
O=c1cc(-c2ccc(O)cc2O)oc2cc(O)cc(O)c12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
