Glycoside
GD155144
Name:
6-[2,6-dimethoxy-3-(7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-3-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C29H36O16Smiles:
COc1ccc(C2COc3cc(OC4OC(CO)C(O)C(O)C4O)ccc3C2)c(OC)c1OC1OC(C(=O)O)C(O)C(O)C1OAglycone:
COc1ccc(C2COc3cc(O)ccc3C2)c(OC)c1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.55 |
| AlogP: | -2.13 | Num_rotatable_bonds: | 9 |
| MolWt: | 640.59 | Num_heavy_atoms: | 45 |
| TPSA: | 243.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD44930
Formula: C17H18O5
Smiles:
COc1ccc(C2COc3cc(O)ccc3C2)c(OC)c1O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 2.83 | Num_rotatable_bonds: | 3 |
| MolWt: | 302.33 | Num_heavy_atoms: | 22 |
| TPSA: | 68.15 | NumAromaticRings: | 2 |
