Glycoside
GD153912
Name:
3-(6-{[(3,5-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methoxy]carbonyl}-2,3,4-trihydroxyphenoxy)-4,5-dihydroxybenzoic acidFormula:
C27H26O18Smiles:
O=C(O)c1cc(O)c(O)c(Oc2c(C(=O)OCc3cc(O)c(OC4OC(CO)C(O)C(O)C4O)c(O)c3)cc(O)c(O)c2O)c1Aglycone:
O=C(O)c1cc(O)c(O)c(Oc2c(C(=O)OCc3cc(O)c(O)c(O)c3)cc(O)c(O)c2O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 12 | FractionCSP3: | 0.26 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 9 |
| MolWt: | 638.49 | Num_heavy_atoms: | 45 |
| TPSA: | 313.82 | NumAromaticRings: | 3 |
Unique Aglycone
AD61177
Formula: C21H16O13
Smiles:
O=C(O)c1cc(O)c(O)c(Oc2c(C(=O)OCc3cc(O)c(O)c(O)c3)cc(O)c(O)c2O)c1| HBA: | 13 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.05 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 6 |
| MolWt: | 476.35 | Num_heavy_atoms: | 34 |
| TPSA: | 234.67 | NumAromaticRings: | 3 |
