Glycoside
GD149036
Name:
3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-1λ³-chromen-1-iumFormula:
C26H30O16Smiles:
OCC1OC(OC2=C(c3cc(O)c(O)c(O)c3)[OH+]C3=CC(O)=C[C](O)C3=C2)C(OC2OCC(O)C(O)C2O)C(O)C1OAglycone:
OC1=CC(O)C2=CC(O)=C(c3cc(O)c(O)c(O)c3)[OH+]C2=C1Sugarmoiety:
OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.42 |
| AlogP: | -1.97 | Num_rotatable_bonds: | 6 |
| MolWt: | 598.51 | Num_heavy_atoms: | 42 |
| TPSA: | 272.25 | NumAromaticRings: | 1 |
Unique Aglycone
AD44981
Formula: C15H13O7
Smiles:
OC1=CC(O)C2=CC(O)=C(c3cc(O)c(O)c(O)c3)[OH+]C2=C1| HBA: | 7 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.07 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 1 |
| MolWt: | 305.26 | Num_heavy_atoms: | 22 |
| TPSA: | 134.18 | NumAromaticRings: | 1 |
