Glycoside
GD133396
Name:
5-hydroxy-2-(4-hydroxyphenyl)-3,6-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-4-oneFormula:
C27H30O14Smiles:
CC1OC(Oc2ccc3oc(-c4ccc(O)cc4)c(OC4OC(C)C(O)C(O)C4O)c(=O)c3c2O)C(O)C(O)C1OAglycone:
O=c1c(O)c(-c2ccc(O)cc2)oc2ccc(O)c(O)c12Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.44 |
| AlogP: | -0.72 | Num_rotatable_bonds: | 5 |
| MolWt: | 578.52 | Num_heavy_atoms: | 41 |
| TPSA: | 228.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD53996
Formula: C15H10O6
Smiles:
O=c1c(O)c(-c2ccc(O)cc2)oc2ccc(O)c(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 |
