Glycoside
GD140546
Name:
3,4,5-trihydroxy-2-[3-(4-hydroxyphenyl)prop-2-enoyl]-4-[3,5,6-trihydroxy-4-(hydroxymethyl)oxan-2-yl]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexa-2,5-dien-1-oneFormula:
C27H32O16Smiles:
O=C(C=Cc1ccc(O)cc1)C1=C(O)C(O)(C2OC(O)C(O)C(CO)C2O)C(O)=C(C2OC(CO)C(O)C(O)C2O)C1=OAglycone:
O=C(C=Cc1ccc(O)cc1)C1=C(O)C(O)C(O)=CC1=OSugarmoiety:
OCC1C(O)C(O)OC(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 12 | FractionCSP3: | 0.48 |
| AlogP: | -4.2 | Num_rotatable_bonds: | 7 |
| MolWt: | 612.54 | Num_heavy_atoms: | 43 |
| TPSA: | 295.36 | NumAromaticRings: | 1 |
Unique Aglycone
AD13568
Formula: C15H12O6
Smiles:
O=C(C=Cc1ccc(O)cc1)C1=C(O)C(O)C(O)=CC1=O| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.07 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 288.26 | Num_heavy_atoms: | 21 |
| TPSA: | 115.06 | NumAromaticRings: | 1 |
