Glycoside
GD143507
Name:
2-[3-(4-{[1,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-2-yl]oxy}-3-methoxyphenyl)propoxy]-6-methyloxane-3,4,5-triolFormula:
C27H38O12Smiles:
COc1cc(CCCOC2OC(C)C(O)C(O)C2O)ccc1OC(CO)C(O)c1cc(OC)c(O)c(OC)c1Aglycone:
COc1cc(CCCO)ccc1OC(CO)C(O)c1cc(OC)c(O)c(OC)c1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 13 |
| MolWt: | 554.59 | Num_heavy_atoms: | 39 |
| TPSA: | 176.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD57713
Formula: C21H28O8
Smiles:
COc1cc(CCCO)ccc1OC(CO)C(O)c1cc(OC)c(O)c(OC)c1| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 11 |
| MolWt: | 408.45 | Num_heavy_atoms: | 29 |
| TPSA: | 117.84 | NumAromaticRings: | 2 |
