Glycoside
GD136902
Name:
3,4,5-trihydroxy-2-[hydroxy(3,4,5-trihydroxyoxan-2-yl)methyl]-6-[3-(4-hydroxyphenyl)prop-2-enoyl]-4-[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(CO)C(O)C(O)C2O)C(O)=C(C(O)C2OCC(O)C(O)C2O)C1=OAglycone:
O=C(C=Cc1ccc(O)cc1)C1=C(O)C(O)C(O)=C(CO)C1=OSugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 12 | FractionCSP3: | 0.48 |
| AlogP: | -4.4 | Num_rotatable_bonds: | 7 |
| MolWt: | 612.54 | Num_heavy_atoms: | 43 |
| TPSA: | 295.36 | NumAromaticRings: | 1 |
Unique Aglycone
AD55330
Formula: C16H14O7
Smiles:
O=C(C=Cc1ccc(O)cc1)C1=C(O)C(O)C(O)=C(CO)C1=O| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.12 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 4 |
| MolWt: | 318.28 | Num_heavy_atoms: | 23 |
| TPSA: | 135.29 | NumAromaticRings: | 1 |
