Glycoside
GD143698
Name:
2-{[3-(4-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3,5-dimethoxyphenyl)prop-2-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C27H36O13Smiles:
COc1cc(C(O)C(CO)Oc2c(OC)cc(C=CCOC3OC(CO)C(O)C(O)C3O)cc2OC)ccc1OAglycone:
COc1cc(C(O)C(CO)Oc2c(OC)cc(C=CCO)cc2OC)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 13 |
| MolWt: | 568.57 | Num_heavy_atoms: | 40 |
| TPSA: | 196.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD08356
Formula: C21H26O8
Smiles:
COc1cc(C(O)C(CO)Oc2c(OC)cc(C=CCO)cc2OC)ccc1O| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 10 |
| MolWt: | 406.43 | Num_heavy_atoms: | 29 |
| TPSA: | 117.84 | NumAromaticRings: | 2 |
