Glycoside
GD115159
Name:
9-hydroxy-7-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-2H,8H-[1,3]dioxolo[4,5-g]chromen-8-oneFormula:
C22H20O12Smiles:
O=c1c(-c2ccc(OC3OC(CO)C(O)C(O)C3O)c(O)c2)coc2cc3c(c(O)c12)OCO3Aglycone:
O=c1c(-c2ccc(O)c(O)c2)coc2cc3c(c(O)c12)OCO3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.32 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 476.39 | Num_heavy_atoms: | 34 |
| TPSA: | 188.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD45501
Formula: C16H10O7
Smiles:
O=c1c(-c2ccc(O)c(O)c2)coc2cc3c(c(O)c12)OCO3| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 1 |
| MolWt: | 314.25 | Num_heavy_atoms: | 23 |
| TPSA: | 109.36 | NumAromaticRings: | 3 |
