Glycoside
GD136799
Name:
3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6,8-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-4H-chromen-4-oneFormula:
C27H30O18Smiles:
O=c1c(O)c(-c2ccc(O)cc2)oc2c(OC3OC(CO)C(O)C(O)C3O)c(O)c(OC3OC(CO)C(O)C(O)C3O)c(O)c12Aglycone:
O=c1c(O)c(-c2ccc(O)cc2)oc2c(O)c(O)c(O)c(O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.44 |
| AlogP: | -3.36 | Num_rotatable_bonds: | 7 |
| MolWt: | 642.52 | Num_heavy_atoms: | 45 |
| TPSA: | 309.89 | NumAromaticRings: | 3 |
Unique Aglycone
AD00204
Formula: C15H10O8
Smiles:
O=c1c(O)c(-c2ccc(O)cc2)oc2c(O)c(O)c(O)c(O)c12| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.0 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 318.24 | Num_heavy_atoms: | 23 |
| TPSA: | 151.59 | NumAromaticRings: | 3 |
