Glycoside
GD121593
Name:
(3,4-dihydroxy-5-{[hydroxy(3,4,5-trihydroxycyclohexyl)methoxy](3,4,5-trihydroxyphenyl)methoxy}oxan-2-yl)methyl 3,4,5-trihydroxybenzoateFormula:
C27H34O17Smiles:
O=C(OCC1OCC(OC(OC(O)C2CC(O)C(O)C(O)C2)c2cc(O)c(O)c(O)c2)C(O)C1O)c1cc(O)c(O)c(O)c1Aglycone:
COC(=O)c1cc(O)c(O)c(O)c1.Oc1cc(C(O)OC(O)C2CC(O)C(O)C(O)C2)cc(O)c1OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 12 | FractionCSP3: | 0.52 |
| AlogP: | -1.89 | Num_rotatable_bonds: | 9 |
| MolWt: | 630.55 | Num_heavy_atoms: | 44 |
| TPSA: | 296.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD00121
Formula: C8H8O5
Smiles:
COC(=O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.15 | Num_heavy_atoms: | 13 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
AD48957
Formula: C14H20O9
Smiles:
Oc1cc(C(O)OC(O)C2CC(O)C(O)C(O)C2)cc(O)c1O| HBA: | 9 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.57 |
| AlogP: | -1.38 | Num_rotatable_bonds: | 4 |
| MolWt: | 332.31 | Num_heavy_atoms: | 23 |
| TPSA: | 171.07 | NumAromaticRings: | 1 |
