Glycoside
GD156987
Name:
3-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-2-{[3-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoyl]oxy}propanoic acidFormula:
C30H36O18Smiles:
O=C(C=Cc1ccc(OC2OC(CO)C(O)C(O)C2O)c(O)c1)OC(Cc1ccc(OC2OC(CO)C(O)C(O)C2O)c(O)c1)C(=O)OAglycone:
O=C(C=Cc1ccc(O)c(O)c1)OC(Cc1ccc(O)c(O)c1)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.47 |
| AlogP: | -3.29 | Num_rotatable_bonds: | 12 |
| MolWt: | 684.6 | Num_heavy_atoms: | 48 |
| TPSA: | 302.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD48567
Formula: C18H16O8
Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OC(Cc1ccc(O)c(O)c1)C(=O)O| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.11 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 6 |
| MolWt: | 360.32 | Num_heavy_atoms: | 26 |
| TPSA: | 144.52 | NumAromaticRings: | 2 |
