Glycoside
GD145045
Name:
8-{[4,5-dihydroxy-6-(hydroxymethyl)-3-methyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-oneFormula:
C28H32O15Smiles:
CC1OC(OC2(C)C(Oc3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)OC(CO)C(O)C2O)C(O)C(O)C1OAglycone:
O=c1cc(-c2ccc(O)cc2)oc2c(O)c(O)cc(O)c12Sugarmoiety:
CC1OC(OC2(C)C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.46 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 6 |
| MolWt: | 608.55 | Num_heavy_atoms: | 43 |
| TPSA: | 249.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD06991
Formula: C15H10O6
Smiles:
O=c1cc(-c2ccc(O)cc2)oc2c(O)c(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 |
